SCHEMBL21915992

SCHEMBL21915992

CCOc1ccc([S@@+](C)[O-])cc1-c1cn(C)c(=O)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 18/20 0.49
BRDT Q58F21 2/20 0.49
BRD9 Q9H8M2 3/20 0.47
BRD7 Q9NPI1 3/20 0.47
BRD2 P25440 2/20 0.47
LMNA P02545 1/20 0.41

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
SCHEMBL19931276 0.91 BRD4 (0.53) BRD4BRDTBRD9BRD7BRD2
SCHEMBL19931524 0.86 BRD4 (0.43) BRD4BRDTBRD9BRD7BRD2
SCHEMBL19931354 0.81 BRD4 (0.41) BRD4
SCHEMBL16658000 0.80 BRD4 (0.68) BRD4BRDT
SCHEMBL16650797 0.80 BRD4 (0.71) BRD4BRDT
SCHEMBL29848989 0.80 BRD4 (0.71) BRD4BRDT
SCHEMBL19931116 0.79 BRD4 (0.52) BRD4BRD9BRD7BRD2
SCHEMBL19930719 0.79 BRD4 (0.51) BRD4BRDTBRD9BRD7BRD2
SCHEMBL19930979 0.78 BRD4 (0.42) BRD4BRDTBRD9BRD7BRD2
SCHEMBL25043384 0.78 BRD4 (0.50) BRD4BRDTBRD9BRD7BRD2

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-3640241-A1 BROMODOMAIN INHIBITORS Celgene Quanticel Research, Inc. (US) 2020-04-22 EP disclosed