SCHEMBL1871902

SCHEMBL1871902

O=C(Cc1ccnc(Cl)n1)c1cccc(NS(=O)(=O)CCC(F)(F)F)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
BRAF P15056 6/20 0.35
MRGPRX1 Q96LB2 5/20 0.33
GLO1 Q04760 2/20 0.31
TRPV1 Q8NER1 1/20 0.31
ERN1 O75460 1/20 0.31
SLC40A1 Q9NP59 1/20 0.31

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
SCHEMBL1876513 0.91 BRAF (0.39) PTGS1PTGS2BRAFMRGPRX1GLO1
SCHEMBL1882268 0.87 BRAF (0.41) PTGS1PTGS2BRAF
SCHEMBL1879184 0.80 PTGS1 (0.36) PTGS1PTGS2BRAFMRGPRX1GLO1
SCHEMBL1873673 0.79 BRAF (0.49) BRAF
SCHEMBL3882959 0.77 GAA (0.37) TRPV1
SCHEMBL1874818 0.74 PDK2 (0.52) PTGS1PTGS2MRGPRX1
SCHEMBL24761235 0.73 ERCC5 (0.47)
SCHEMBL29751913 0.73 ERCC5 (0.47)
SCHEMBL31264106 0.73 SLC40A1 (0.39) PTGS2BRAFTRPV1ERN1SLC40A1
SCHEMBL30605882 0.73 SLC40A1 (0.39) PTGS2TRPV1SLC40A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2498608-A1 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS GlaxoSmithKline LLC (US) 2012-09-19 EP disclosed
WO-2011059610-A1 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-05-19 WO disclosed
WO-2011059610-A1 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-05-19 WO disclosed