SCHEMBL20170154

SCHEMBL20170154

Cc1cc(C)c(CNC(O)c2cc(-c3ccc(CN4CCNCC4)cc3)nc3c2c(Br)nn3C(C)C)c(=O)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 16/20 0.51
▸ HDAC6 Q9UBN7 3/20 0.39
▸ EZH1 Q92800 1/20 0.38
▸ TNKS O95271 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36

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
SCHEMBL20170343 0.80 EZH2 (0.63) EZH2EZH1
SCHEMBL12499612 0.79 EZH2 (0.76) EZH2EZH1
SCHEMBL30386468 0.79 EZH2 (0.76) EZH2EZH1
SCHEMBL20170249 0.71 EZH2 (0.59) EZH2EZH1
SCHEMBL18800361 0.71 EZH2 (0.75) EZH2EZH1
SCHEMBL10255451 0.71 EZH2 (0.55) EZH2
SCHEMBL12683939 0.70 EZH2 (0.73) EZH2EZH1
SCHEMBL22517696 0.70 EZH2 (0.54) EZH2
SCHEMBL17732385 0.69 EZH2 (0.87) EZH2HDAC6
SCHEMBL22517694 0.69 EZH2 (0.71) EZH2EZH1

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-3323820-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. (US) 2018-05-23 — — EP disclosed
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