SCHEMBL16899646

SCHEMBL16899646

Cc1[nH]c(=O)c(CNC(=O)c2cc(-c3ccc(N4CCN(C)CC4)nc3)c3ccn(C(C)C)c3c2C)c2c1CCCC2

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 20/20 0.63
▸ EZH1 Q92800 4/20 0.54
▸ EED O75530 5/20 0.53
▸ SUZ12 Q15022 5/20 0.53
▸ RBBP4 Q09028 4/20 0.53
▸ AEBP2 Q6ZN18 4/20 0.53
▸ RBBP7 Q16576 2/20 0.53
▸ PRMT3 O60678 1/20 0.49
▸ SETD7 Q8WTS6 1/20 0.49

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
SCHEMBL16899507 0.92 EZH2 (0.62) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL16899549 0.91 EZH2 (0.58) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL16899615 0.90 EZH2 (0.62) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL16899451 0.89 EZH2 (0.72) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL16899556 0.88 EZH2 (0.60) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL16899505 0.85 EZH2 (0.86) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL16899624 0.82 EZH2 (0.58) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL16899620 0.80 EZH2 (0.87) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL16899579 0.78 EZH2 (0.84) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL16899515 0.78 EZH2 (0.86) EZH2EZH1EEDSUZ12RBBP4

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-2015104677-A1 HETEROCYCLIC COMPOUNDS AS EZH2 INHIBITORS Piramal Enterprises Limited (IN) 2015-07-16 — — WO disclosed
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