SCHEMBL16360922

SCHEMBL16360922

Cc1cc(C)c(CNC(=O)c2cc([SH](=O)=O)cc3c2c(C)cn3C(C)C)c(=O)[nH]1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 18/20 0.62
▸ EZH1 Q92800 3/20 0.58
▸ EED O75530 4/20 0.51
▸ SUZ12 Q15022 4/20 0.51
▸ HDAC1 Q13547 1/20 0.48
▸ BRD4 O60885 1/20 0.47
▸ RBBP4 Q09028 3/20 0.47
▸ RBBP7 Q16576 1/20 0.47
▸ AEBP2 Q6ZN18 2/20 0.46

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
SCHEMBL16360919 0.92 EZH2 (0.54) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL16360923 0.89 EZH2 (0.52) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL12180137 0.87 EZH2 (0.65) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL17584932 0.87 EZH2 (0.64) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL12180391 0.87 EZH2 (0.64) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL2587499 0.87 EZH2 (0.64) EZH2EZH1EEDSUZ12BRD4
SCHEMBL2592559 0.87 EZH2 (0.64) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL30620946 0.87 EZH2 (0.64) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL16360921 0.86 EED (0.53) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL19620792 0.86 EZH2 (0.63) 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
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