SCHEMBL16116298

SCHEMBL16116298

CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(C(F)(F)F)nc2)cc2c1ccn2CC1CCC1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 14/20 0.60
▸ EZH1 Q92800 9/20 0.55
▸ EED O75530 2/20 0.52
▸ RBBP4 Q09028 2/20 0.52
▸ SUZ12 Q15022 2/20 0.52
▸ AEBP2 Q6ZN18 2/20 0.52
▸ PRMT3 O60678 1/20 0.52
▸ RBBP7 Q16576 1/20 0.52
▸ SETD7 Q8WTS6 1/20 0.52
▸ BRD4 O60885 1/20 0.51

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
SCHEMBL16115541 0.92 EZH2 (0.60) EZH2EZH1EEDRBBP4SUZ12
SCHEMBL16115918 0.87 EZH2 (0.72) EZH2EZH1EEDRBBP4SUZ12
SCHEMBL16115816 0.86 EZH2 (0.70) EZH2EZH1EEDRBBP4SUZ12
SCHEMBL16115902 0.84 EZH2 (0.55) EZH2EZH1EEDRBBP4SUZ12
SCHEMBL16115846 0.77 GRIN2B (0.43) BRD4
SCHEMBL16115715 0.77 EZH2 (0.60) EZH2EZH1EEDRBBP4SUZ12
SCHEMBL16116111 0.77 GRIN2B (0.43) BRD4
SCHEMBL12180781 0.76 EZH1 (0.77) EZH2EZH1EEDRBBP4SUZ12
SCHEMBL2594600 0.75 EZH2 (0.65) EZH2EZH1EEDRBBP4SUZ12
SCHEMBL16116053 0.75 EZH2 (0.53) EZH2EZH1EEDSUZ12

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-2014155301-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS INHIBITORS OF EZH2 Piramal Enterprises Limited (IN) 2014-10-02 — — WO disclosed
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