SCHEMBL22645586

SCHEMBL22645586

COc1cc(C)[nH]c(=O)c1CN1C(=O)c2c(Cl)c(-c3c(C)noc3C)cc3ccn(c23)CC1C

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 18/20 0.75
BRD4 O60885 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
BRD2 P25440 1/20 0.37
BRD3 Q15059 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29840645 1.00 EZH2 (0.75) EZH2BRD4CYP3A4CYP2C9BRD2
SCHEMBL22645641 0.85 EZH2 (1.00) EZH2
SCHEMBL29840832 0.85 EZH2 (1.00) EZH2
SCHEMBL22645602 0.85 EZH2 (0.75) EZH2
SCHEMBL29840812 0.85 EZH2 (0.75) EZH2
SCHEMBL22645621 0.79 EZH2 (0.88) EZH2
SCHEMBL29840722 0.76 EZH2 (0.78) EZH2
SCHEMBL22645597 0.76 EZH2 (0.78) EZH2
SCHEMBL22645622 0.73 EZH2 (0.75) EZH2
SCHEMBL29840778 0.73 EZH2 (0.75) EZH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020224607-A1 EZH2 INHIBITOR AND USE THEREOF 南京药石科技股份有限公司 2020-11-12 WO disclosed