SCHEMBL8604775

SCHEMBL8604775

NS(=O)(=O)c1ccccc1-c1csc(CNC(=O)NO)c1-c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.38
ENPP2 Q13822 1/20 0.38
NAMPT P43490 1/20 0.38
SCN9A Q15858 8/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL8604772 0.84 PTGS2 (0.44) PTGS1PTGS2CA2CA9
SCHEMBL6316751 0.78 F10 (0.38) F10PTGS1PTGS2
SCHEMBL6314463 0.76 PTGS2 (0.36) F10SCN9APTGS1PTGS2MMP2
SCHEMBL6314893 0.75 ALOX5 (0.36) F10SCN9APTGS1PTGS2MMP2
Methane SCHEMBL6315337 0.74 PTGS2 (0.35) F10PTGS1PTGS2MMP2MMP9
SCHEMBL8605986 0.72 RXRA (0.43) F10NAMPTCA2CA9
SCHEMBL8604310 0.72 RXRA (0.43) F10NAMPTCA2CA9
SCHEMBL6309624 0.72 PTGS2 (0.41) F10SCN9APTGS1PTGS2
SCHEMBL6308474 0.70 PTGS2 (0.37) F10PTGS1PTGS2CA9
SCHEMBL6309332 0.69 KDM4E (0.40) F10PTGS2MMP2MMP9

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-0828718-A1 HETEROCYCLO SUBSTITUTED HYDROXAMIC ACID DERIVATIVES AS CYCLOOXYGENASE-2 AND 5-LIPOXYGENASE INHIBITORS G.D. SEARLE & CO. (US) 1998-03-18 EP disclosed
WO-1996038418-A1 HETEROCYCLO SUBSTITUTED HYDROXAMIC ACID DERIVATIVES AS CYCLOOXYGENASE-2 AND 5-LIPOXYGENASE INHIBITORS G.D. SEARLE & CO. (US) 1996-12-05 WO disclosed