SCHEMBL7573010

SCHEMBL7573010

O=S(=O)(Nc1ccc(-c2ccc(F)cc2)cc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.52
CCR9 P51686 4/20 0.49
STAT3 P40763 1/20 0.48
KIF11 P52732 1/20 0.47
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
GSK3B P49841 1/20 0.46

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
SCHEMBL7595506 0.89 FFAR4 (0.57) FFAR4CCR9KEAP1NFE2L2
SCHEMBL28570098 0.84 KIF11 (0.62) FFAR4KIF11GSK3B
SCHEMBL7566650 0.83 ACLY (0.57) FFAR4GSK3B
SCHEMBL7573002 0.81 ACLY (0.59) GSK3B
SCHEMBL26537255 0.81 FFAR4 (0.57) FFAR4CCR9KEAP1NFE2L2
SCHEMBL7577285 0.80 FFAR4 (0.59) FFAR4CCR9KEAP1NFE2L2
SCHEMBL7570513 0.79 FFAR4 (0.64) FFAR4KIF11GSK3B
SCHEMBL26530288 0.79 FFAR4 (0.54) FFAR4CCR9STAT3
SCHEMBL7569763 0.78 FFAR4 (0.59) FFAR4CCR9
SCHEMBL7590053 0.78 FFAR4 (0.59) FFAR4CCR9

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
WO-2002083629-A1 BISSULFONAMIDE DERIVATIVES AS INHIBITORS OF DEHYDROQUINATE SYNTHETASES AND TYPE II DEHYDROQUINASES ARROW THERAPEUTICS LIMITED (GB) 2002-10-24 WO disclosed