SCHEMBL19930722

SCHEMBL19930722

CCS(=O)(=O)CNc1cnc(OCC2CC2)c(-c2cn(C)c(=O)c3sc(C)cc23)c1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 19/20 0.47
SCN9A Q15858 1/20 0.35

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
SCHEMBL25043124 0.88 BRD4 (0.51) BRD4
SCHEMBL25043125 0.84 BRD4 (0.44) BRD4
SCHEMBL29848681 0.78 BRD4 (0.47) BRD4SCN9A
SCHEMBL16651111 0.78 BRD4 (0.47) BRD4SCN9A
SCHEMBL16651232 0.73 BRD4 (0.56) BRD4
SCHEMBL29848884 0.73 BRD4 (0.56) BRD4
SCHEMBL16651934 0.70 BRD4 (0.52) BRD4
SCHEMBL16651078 0.69 BRD4 (0.49) BRD4
SCHEMBL25042980 0.69 BRD4 (0.48) BRD4
SCHEMBL29848714 0.68 BRD4 (0.62) BRD4

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