SCHEMBL19503402

SCHEMBL19503402

C=CC(=O)Nc1cc(-c2ccc(N3CCN(I)CC3)nc2)cc(C(=O)NCc2c(CCC)cc(C)[nH]c2=O)c1C

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 13/20 0.78
▸ EED O75530 2/20 0.70
▸ RBBP4 Q09028 2/20 0.70
▸ SUZ12 Q15022 2/20 0.70
▸ AEBP2 Q6ZN18 2/20 0.70
▸ EZH1 Q92800 8/20 0.58
▸ PRMT3 O60678 1/20 0.58
▸ RBBP7 Q16576 1/20 0.58
▸ SETD7 Q8WTS6 1/20 0.58

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
SCHEMBL19503400 0.94 EZH2 (0.80) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL28521908 0.89 EZH2 (0.87) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL28516505 0.88 EZH2 (1.00) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL23863694 0.84 EZH2 (0.57) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL23863706 0.84 EZH2 (0.64) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL15393260 0.83 EZH2 (1.00) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL23863738 0.80 EZH2 (0.72) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL24227159 0.80 EZH2 (0.62) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL17734365 0.79 EZH2 (0.63) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL21917051 0.79 EZH2 (0.65) EZH2EEDRBBP4SUZ12AEBP2

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-2017184999-A1 EZH2 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-10-26 — — WO disclosed
Send feedback