SCHEMBL1872258

SCHEMBL1872258

CCCS(=O)(=O)Nc1cccc(-c2nc(N3CCN(C(=O)OCC(C)C)CC3)sc2-c2ccnc(Cl)n2)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRAF P15056 16/20 0.42
HRH1 P35367 1/20 0.33
SLC6A15 Q9H2J7 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MMP13 P45452 1/20 0.32

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
SCHEMBL1870444 0.93 BRAF (0.44) BRAF
SCHEMBL1875723 0.93 BRAF (0.41) BRAF
SCHEMBL1872256 0.89 BRAF (0.40) BRAF
SCHEMBL1866858 0.89 BRAF (0.46) BRAFLMNAMAPTMMP13
SCHEMBL1870874 0.86 BRAF (0.38) BRAF
SCHEMBL12669624 0.86 BRAF (0.40) BRAF
SCHEMBL1868804 0.83 RIPK2 (0.41) BRAF
SCHEMBL1870511 0.83 BRAF (0.45) BRAF
SCHEMBL1127020 0.83 BRAF (0.49) BRAF
SCHEMBL1875721 0.82 BRAF (0.42) BRAF

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-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