SCHEMBL16360910

SCHEMBL16360910

Cc1cc(C)c(CNC(=O)c2cc(-c3cccc(C[SH](=O)=O)c3)cc3c2c(C)cn3C(C)C)c(=O)[nH]1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 18/20 0.64
EZH1 Q92800 3/20 0.62
EED O75530 4/20 0.55
SUZ12 Q15022 4/20 0.55
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.48
BRD4 O60885 1/20 0.48
PARP1 P09874 1/20 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
SCHEMBL12180111 0.91 EZH2 (0.66) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL12180318 0.89 EZH2 (0.64) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL12180102 0.88 EZH2 (0.63) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL14717595 0.88 EZH2 (0.62) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL19620990 0.87 EZH2 (0.68) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL17970364 0.87 EZH2 (0.62) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL17220909 0.87 EZH2 (0.63) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL19620822 0.86 EZH2 (0.66) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL2589208 0.85 EZH2 (0.65) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL19620860 0.84 EZH2 (0.64) 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