SCHEMBL15539396

SCHEMBL15539396

Cc1[nH]c(=O)ccc1-c1cc(NS(C)(=O)=O)ccc1Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.57
SLC6A4 P31645 1/20 0.57
SLC6A3 Q01959 1/20 0.57
BRD4 O60885 18/20 0.49
EP300 Q09472 2/20 0.46
BRD2 P25440 1/20 0.45
SMARCA2 P51531 1/20 0.45
BRD3 Q15059 1/20 0.45
BRDT Q58F21 1/20 0.45
CREBBP Q92793 1/20 0.45
BRWD1 Q9NSI6 1/20 0.45
BAZ2A Q9UIF9 1/20 0.45
KIF11 P52732 1/20 0.44

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
SCHEMBL15538102 0.89 BRD4 (0.47) SLC6A2SLC6A4SLC6A3BRD4EP300
SCHEMBL15539253 0.87 BRD4 (0.61) BRD4EP300BRD2SMARCA2BRD3
SCHEMBL15538634 0.82 BRD4 (0.62) BRD4BRD2SMARCA2BRD3BRDT
SCHEMBL15540256 0.79 BRD4 (0.50) BRD4EP300BRD2SMARCA2BRD3
SCHEMBL15538914 0.79 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3BRD4EP300
SCHEMBL16654654 0.79 BRD4 (0.62) BRD4EP300
SCHEMBL15538776 0.78 BRD4 (0.60) BRD4BRD2SMARCA2BRD3BRDT
SCHEMBL15539864 0.77 BRD4 (0.49) BRD4EP300BRD2SMARCA2BRD3
SCHEMBL15538750 0.77 BRD4 (0.50) BRD4EP300BRD2SMARCA2BRD3
SCHEMBL15539399 0.76 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3BRD4KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2858982-A1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AbbVie Inc. (US) 2015-04-15 EP claimed
WO-2013185284-A1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES ABBOTT LABORATORIES (US) 2013-12-19 WO claimed
EP-2858982-A1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AbbVie Inc. (US) 2015-04-15 EP disclosed
WO-2013185284-A1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES ABBOTT LABORATORIES (US) 2013-12-19 WO disclosed