SCHEMBL7109230

SCHEMBL7109230

O=c1scc(-c2ccc(S)c(F)c2)n1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALPI P09923 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
TRPV4 Q9HBA0 4/20 0.32
TDP2 O95551 1/20 0.32
CHRM5 P08912 1/20 0.31
CACNA2D1 P54289 1/20 0.31
SCN5A Q14524 1/20 0.31
NOTUM Q6P988 1/20 0.31
MCHR1 Q99705 1/20 0.31
DHODH Q02127 1/20 0.31
LIPE Q05469 1/20 0.31

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
SCHEMBL7111140 0.89 DYRK1A (0.35) CHRM5NOTUMDHODH
SCHEMBL7111728 0.84 SCN5A (0.35) TRPV4SCN5AMCHR1
SCHEMBL6723682 0.83 PTGS2 (0.37) POLBL3MBTL1NR1H4TRPV4
SCHEMBL6730037 0.83 PTGS2 (0.43) POLBL3MBTL1NR1H4CA12CA9
SCHEMBL6735272 0.80 POLB (0.36) POLBL3MBTL1NR1H4CA12CA9
SCHEMBL7115763 0.79 ALKBH5 (0.36) NOTUM
SCHEMBL7111700 0.78 KAT2B (0.31)
SCHEMBL7114074 0.78 PIK3CA (0.32)
SCHEMBL7110053 0.75 PTGS2 (0.32)
SCHEMBL7115556 0.74 NPC1 (0.36)

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