SCHEMBL19620906

SCHEMBL19620906

COc1cc(C(O)NCc2c(C)cc(C)[nH]c2=O)c2ccn(C(C)C)c2c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 20/20 0.52
▸ BRD4 O60885 2/20 0.43
▸ EED O75530 5/20 0.39
▸ RBBP4 Q09028 5/20 0.39
▸ SUZ12 Q15022 5/20 0.39
▸ AEBP2 Q6ZN18 4/20 0.39
▸ RBBP7 Q16576 1/20 0.38
▸ BRD2 P25440 1/20 0.37
▸ BRD3 Q15059 1/20 0.37
▸ BRDT Q58F21 1/20 0.37
▸ EZH1 Q92800 1/20 0.37

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
SCHEMBL19620738 0.87 EZH2 (0.54) EZH2BRD4EEDRBBP4SUZ12
SCHEMBL2593834 0.81 EZH2 (0.73) EZH2BRD4EEDRBBP4SUZ12
SCHEMBL19621017 0.77 EZH2 (0.40) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL20991985 0.75 EZH2 (0.52) EZH2BRD4BRD2BRD3BRDT
SCHEMBL19620855 0.75 EZH2 (0.39) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL19620823 0.73 EZH2 (0.42) EZH2BRD4EEDRBBP4SUZ12
SCHEMBL19391673 0.72 EZH2 (0.70) EZH2EEDRBBP4SUZ12RBBP7
SCHEMBL19621002 0.71 EZH2 (0.46) EZH2BRD4EEDRBBP4SUZ12
SCHEMBL19620816 0.71 EZH2 (0.48) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL18863744 0.71 EZH2 (0.78) EZH2BRD4EEDRBBP4SUZ12

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
EP-3246027-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF CANCER GlaxoSmithKline LLC (US) 2017-11-22 — — EP disclosed
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