SCHEMBL16360967

SCHEMBL16360967

Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCNCC4)nc3)cc3c2c(C)cn3CC(C)N)c(=O)[nH]1

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 17/20 0.80
▸ EZH1 Q92800 6/20 0.77
▸ EED O75530 5/20 0.77
▸ SUZ12 Q15022 5/20 0.77
▸ HDAC1 Q13547 1/20 0.63
▸ RBBP4 Q09028 1/20 0.61
▸ RBBP7 Q16576 1/20 0.61
▸ AEBP2 Q6ZN18 1/20 0.61
▸ HDAC6 Q9UBN7 1/20 0.59

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
SCHEMBL2594340 0.92 EZH2 (0.78) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL19657082 0.90 EZH2 (0.78) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL2594075 0.89 EZH2 (1.00) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL19610153 0.88 EZH2 (0.82) EZH2EZH1EEDSUZ12HDAC1
Gsk2816126 SCHEMBL29352969 0.87 EZH2 (1.00) EZH2EZH1EEDSUZ12HDAC1
Gsk2816126 SCHEMBL2593705 0.87 EZH2 (1.00) EZH2EZH1EEDSUZ12HDAC1
Gsk2816126 SCHEMBL2595737 0.87 EZH2 (1.00) EZH2EZH1EEDSUZ12HDAC1
Gsk2816126 SCHEMBL12180401 0.87 EZH2 (1.00) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL14933215 0.87 EZH2 (0.90) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL18768926 0.86 EZH2 (0.88) EZH2EZH1EEDSUZ12HDAC1

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-2013067296-A1 METHOD OF TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (No 2) LIMITED (GB) 2013-05-10 — — WO disclosed
Send feedback