SCHEMBL16899538

SCHEMBL16899538

Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCN(C)CC4)nc3)c3ccn(CC4CCOCC4)c3c2C)c(=O)[nH]1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 18/20 0.65
▸ EED O75530 5/20 0.59
▸ SUZ12 Q15022 5/20 0.59
▸ RBBP4 Q09028 3/20 0.59
▸ AEBP2 Q6ZN18 3/20 0.59
▸ EZH1 Q92800 4/20 0.56
▸ RBBP7 Q16576 1/20 0.55
▸ HDAC1 Q13547 2/20 0.54
▸ HDAC6 Q9UBN7 2/20 0.54

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
SCHEMBL16899539 0.92 EZH2 (0.70) EZH2EEDSUZ12RBBP4AEBP2
SCHEMBL16899421 0.88 EZH2 (0.61) EZH2EEDSUZ12RBBP4AEBP2
SCHEMBL16899439 0.86 EZH2 (0.58) EZH2EEDSUZ12RBBP4AEBP2
SCHEMBL16899650 0.84 EZH2 (0.65) EZH2EEDSUZ12RBBP4AEBP2
SCHEMBL16899451 0.84 EZH2 (0.72) EZH2EEDSUZ12RBBP4AEBP2
SCHEMBL16899522 0.83 EZH2 (0.42) EZH2
SCHEMBL16899486 0.83 EZH2 (0.42) EZH2EEDSUZ12RBBP4AEBP2
SCHEMBL16899480 0.81 EZH2 (0.71) EZH2EEDSUZ12RBBP4AEBP2
SCHEMBL16899532 0.81 EZH2 (0.71) EZH2EEDSUZ12RBBP4AEBP2
Hydrochloric Acid SCHEMBL16899413 0.81 EZH2 (0.70) EZH2EEDSUZ12RBBP4AEBP2

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