Table 1.

Dock score, MM‐GBSA dG score, interacting residues, and G9a IC₅₀ (nM) of selected screened molecules.

Compound	Dock Score	MM‐GBSA dG	G9a IC50 [nM]
UNC0638	−5.049	−70.31	9.4
A	−10.346	−106.68	>100
B	−12.553	−116.98	9.4
C	−10.809	−90.21	1.7
D	−10.552	−101.76	10.5
E	−11.548	−106.01	2.1
F	−10.202	−95.02	1.8
G	−10.487	−93.42	5.8
H	−10.331	−96.43	2.5
I	−11.253	−91.44	3.9