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SCHEMBL1865837

SCHEMBL1865837

CC(C)COC(=O)N1CCC(c2nc(-c3cccc(NS(=O)(=O)CCC(F)(F)F)c3Cl)c(-c3ccnc(Cl)n3)s2)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 2/20 0.41
▸ BRAF P15056 9/20 0.39
▸ ERN1 O75460 1/20 0.34
▸ EGFR P00533 3/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MMP13 P45452 1/20 0.33

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
SCHEMBL1868868 0.94 BRAF (0.44) NR1I2BRAFERN1
SCHEMBL1866858 0.92 BRAF (0.46) NR1I2BRAFEGFRLMNATP53
SCHEMBL1865835 0.90 NR1I2 (0.43) NR1I2BRAFERN1EGFRKCNH2
SCHEMBL1872195 0.87 NR1I2 (0.48) NR1I2BRAFEGFR
SCHEMBL1870511 0.87 BRAF (0.45) NR1I2BRAFERN1
SCHEMBL1872245 0.87 KCNH2 (0.44) NR1I2BRAFEGFRKCNH2
SCHEMBL1868866 0.85 BRAF (0.47) NR1I2BRAFERN1
SCHEMBL1870874 0.83 BRAF (0.38) NR1I2BRAFERN1
SCHEMBL12669056 0.83 BRAF (0.43) NR1I2BRAFKCNH2
SCHEMBL1866857 0.83 BRAF (0.44) NR1I2BRAFMMP13

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