SCHEMBL16360919

SCHEMBL16360919

CCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc([SH](=O)=O)cc2c1c(C)cn2C(C)C

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 17/20 0.54
▸ EZH1 Q92800 6/20 0.52
▸ EED O75530 2/20 0.47
▸ SUZ12 Q15022 2/20 0.47
▸ HDAC1 Q13547 1/20 0.45
▸ RBBP4 Q09028 1/20 0.42
▸ AEBP2 Q6ZN18 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.41
▸ BRD4 O60885 1/20 0.40

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
SCHEMBL16360923 0.94 EZH2 (0.52) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL16360922 0.92 EZH2 (0.62) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL16360921 0.89 EED (0.53) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL16360817 0.88 EZH2 (0.56) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL12180072 0.87 EZH2 (0.58) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL12180398 0.86 EZH2 (0.54) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL2594608 0.85 EZH2 (0.53) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL12180461 0.83 EZH2 (0.64) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL19620793 0.83 EZH2 (0.52) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL19621000 0.82 EZH2 (0.54) 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-2013067296-A1 METHOD OF TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (No 2) LIMITED (GB) 2013-05-10 — — WO disclosed
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