SCHEMBL16899539

SCHEMBL16899539

CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C)CC3)nc2)c2ccn(CC3CCOCC3)c2c1C

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 17/20 0.70
▸ EED O75530 2/20 0.61
▸ RBBP4 Q09028 2/20 0.61
▸ SUZ12 Q15022 2/20 0.61
▸ AEBP2 Q6ZN18 2/20 0.61
▸ EZH1 Q92800 4/20 0.57
▸ PRMT3 O60678 1/20 0.57
▸ RBBP7 Q16576 1/20 0.57
▸ SETD7 Q8WTS6 1/20 0.57

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
SCHEMBL16899538 0.92 EZH2 (0.65) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL16899480 0.90 EZH2 (0.71) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL16899532 0.90 EZH2 (0.71) EZH2EEDRBBP4SUZ12AEBP2
Hydrochloric Acid SCHEMBL16899413 0.89 EZH2 (0.70) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL16899531 0.88 EZH2 (0.82) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL16899583 0.87 EZH2 (0.71) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL16899482 0.87 EZH2 (0.67) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL16899537 0.86 EZH2 (0.68) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL16899658 0.85 EZH2 (0.78) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL16899505 0.84 EZH2 (0.86) 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 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
Send feedback