SCHEMBL16162115

SCHEMBL16162115

O=C(Nc1c(F)ccc(NS(=O)(=O)c2cccc(F)c2)c1F)Oc1cnc2[nH]ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP3K20 Q9NYL2 1/20 0.50
CYP3A4 P08684 3/20 0.47
BRAF P15056 14/20 0.46
CYP2C9 P11712 2/20 0.44
PIK3CD O00329 1/20 0.42
PIK3R1 P27986 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42

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
SCHEMBL16162087 0.90 MAP3K20 (0.47) MAP3K20CYP3A4BRAFPIK3CDPIK3R1
SCHEMBL16162149 0.89 MAP3K20 (0.44) MAP3K20BRAF
SCHEMBL16162118 0.88 CYP2C9 (0.46) CYP3A4BRAFCYP2C9
SCHEMBL16162146 0.87 BRAF (0.45) MAP3K20BRAFCYP2C9PIK3CA
SCHEMBL16162106 0.86 CYP3A4 (0.47) MAP3K20CYP3A4BRAFCYP2C9
SCHEMBL16162126 0.86 BRAF (0.44) MAP3K20BRAFCYP2C9
SCHEMBL16162154 0.86 MAP3K20 (0.43) MAP3K20CYP3A4BRAFCYP2C9
SCHEMBL16162153 0.86 BRAF (0.44) MAP3K20CYP3A4BRAFCYP2C9
SCHEMBL299278 0.85 MAP3K20 (0.52) MAP3K20CYP3A4BRAFCYP2C9
SCHEMBL16161968 0.85 BRAF (0.43) MAP3K20BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170830-B1 2-FLUORO-BENZENESULFONAMIDE COMPOUNDS AS Raf KINASE MODULATORS PLEXXIKON INC (US) 2014-10-15 EP claimed