SCHEMBL19620738

SCHEMBL19620738

Cc1cc(C)c(CNC(O)c2cc(Br)cc3c2ccn3C(C)C)c(=O)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 19/20 0.54
▸ BRD4 O60885 4/20 0.46
▸ EED O75530 3/20 0.40
▸ RBBP4 Q09028 3/20 0.40
▸ SUZ12 Q15022 3/20 0.40
▸ AEBP2 Q6ZN18 2/20 0.40
▸ BRD2 P25440 1/20 0.40
▸ BRD3 Q15059 1/20 0.40
▸ BRDT Q58F21 1/20 0.40
▸ EZH1 Q92800 1/20 0.40
▸ RBBP7 Q16576 1/20 0.39

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
SCHEMBL19620906 0.87 EZH2 (0.52) EZH2BRD4EEDRBBP4SUZ12
SCHEMBL19621002 0.84 EZH2 (0.46) EZH2BRD4EEDRBBP4SUZ12
SCHEMBL2588268 0.80 EZH2 (0.75) EZH2BRD4EEDRBBP4SUZ12
SCHEMBL31158046 0.80 EZH2 (0.75) EZH2BRD4EEDRBBP4SUZ12
SCHEMBL20991985 0.79 EZH2 (0.52) EZH2BRD4BRD2BRD3BRDT
SCHEMBL25544483 0.77 EZH2 (0.57) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL17956125 0.76 EZH2 (0.64) EZH2BRD4EEDRBBP4SUZ12
SCHEMBL19620844 0.76 EZH2 (0.40) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL16726588 0.76 EZH2 (0.40) EZH2BRD4BRD2BRD3BRDT
SCHEMBL2592955 0.73 EZH2 (0.62) 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
Send feedback