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SCHEMBL1872245

SCHEMBL1872245

CN1CCC(c2nc(-c3cccc(NS(=O)(=O)CCC(F)(F)F)c3Cl)c(-c3ccnc(Cl)n3)s2)CC1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.44
▸ BRAF P15056 3/20 0.44
▸ NR1I2 O75469 2/20 0.44
▸ EGFR P00533 5/20 0.43

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
SCHEMBL12670305 0.94 BRAF (0.50) KCNH2BRAFNR1I2EGFR
SCHEMBL12669243 0.91 EGFR (0.45) KCNH2BRAFNR1I2EGFR
SCHEMBL12669056 0.90 BRAF (0.43) KCNH2BRAFNR1I2
SCHEMBL1870091 0.89 BRAF (0.40) BRAFNR1I2EGFR
SCHEMBL1865835 0.88 NR1I2 (0.43) KCNH2BRAFNR1I2EGFR
SCHEMBL12670277 0.87 EGFR (0.39) BRAFNR1I2EGFR
SCHEMBL1865837 0.87 NR1I2 (0.41) KCNH2BRAFNR1I2EGFR
SCHEMBL1881629 0.85 BRAF (0.53) KCNH2BRAFNR1I2EGFR
SCHEMBL12669808 0.84 BRAF (0.51) KCNH2BRAFNR1I2EGFR
SCHEMBL12668223 0.84 BRAF (0.49) KCNH2BRAFNR1I2

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