SCHEMBL7110955

SCHEMBL7110955

O=S(=O)(O)c1ccc(-c2c(-c3ccc(Br)cc3)noc2C(F)F)cc1F

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.36
CSNK1D P48730 6/20 0.36
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
RAB9A P51151 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
PTGS2 P35354 6/20 0.32
PTGS1 P23219 1/20 0.32
PTPN1 P18031 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
SCHEMBL7108397 0.90 MAPK14 (0.38) MAPK14CSNK1DMAPK9MAPK10FFAR4
SCHEMBL6721926 0.88 PTGS2 (0.43) MAPK14CSNK1DMAPK9MAPK10RAB9A
SCHEMBL6729612 0.88 PTGS2 (0.39) MAPK14CSNK1DMAPK9MAPK10RAB9A
SCHEMBL7115446 0.82 BRD4 (0.40) PTGS2PTPN1
SCHEMBL6726339 0.82 PTGS2 (0.39) MAPK14CSNK1DMAPK9MAPK10CA1
SCHEMBL6729606 0.82 PTGS2 (0.36) MAPK14CSNK1DMAPK9MAPK10PTGS2
SCHEMBL7110830 0.81 PTGS2 (0.50) RAB9ACA1CA2CA4CA7
SCHEMBL7110302 0.81 PTGS2 (0.47) FFAR4PTGS2PTGS1
SCHEMBL7112147 0.81 GABRG2 (0.35)
SCHEMBL6739318 0.80 PTGS2 (0.40) MAPK14CSNK1DMAPK9MAPK10RAB9A

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-1296971-A2 2-FLUOROBENZENESULFONYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2003-04-02 EP disclosed
WO-2001081332-A2 2-FLUOROBENZENESULFONYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2001-11-01 WO disclosed