SCHEMBL19930979

SCHEMBL19930979

CCCCc1ccc([S+](C)[O-])cc1-c1cn(C)c(=O)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 18/20 0.42
BRD9 Q9H8M2 2/20 0.40
BRD7 Q9NPI1 2/20 0.40
BRD2 P25440 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BRDT Q58F21 1/20 0.38

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
SCHEMBL16651222 0.81 BRD4 (0.52) BRD4BRDT
SCHEMBL29848980 0.81 BRD4 (0.52) BRD4BRDT
SCHEMBL19931276 0.79 BRD4 (0.53) BRD4BRD9BRD7BRD2BRDT
SCHEMBL21915992 0.78 BRD4 (0.49) BRD4BRD9BRD7BRD2BRDT
SCHEMBL29849040 0.73 BRD4 (0.60) BRD4BRDT
SCHEMBL16650496 0.73 BRD4 (0.60) BRD4BRDT
SCHEMBL19931524 0.72 BRD4 (0.43) BRD4BRD9BRD7BRD2BRDT
SCHEMBL21916090 0.72 BRD4 (0.53) BRD4
SCHEMBL19930886 0.71 BRD4 (0.46) BRD4BRD9BRD7BRD2BRDT
SCHEMBL19931116 0.70 BRD4 (0.52) BRD4BRD9BRD7BRD2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3640241-A1 BROMODOMAIN INHIBITORS Celgene Quanticel Research, Inc. (US) 2020-04-22 EP disclosed
EP-3290407-A1 BROMODOMAIN INHIBITORS Celgene Quanticel Research, Inc (US) 2018-03-07 EP disclosed