SCHEMBL8635859

SCHEMBL8635859

NS(=O)(=O)c1ccccc1-n1nc(C(F)F)cc1C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.41
PTGS1 P23219 7/20 0.41
PTGES2 Q9H7Z7 1/20 0.37
CA2 P00918 3/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
CA1 P00915 2/20 0.36
CA7 P43166 1/20 0.34
EPHX2 P34913 1/20 0.33
SLC5A1 P13866 2/20 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
SCHEMBL8689601 0.89 PTGS2 (0.39) PTGS2PTGS1CA2CA12CA9
SCHEMBL8689454 0.82 PTGS2 (0.36) PTGS2PTGS1CA2CA12CA9
SCHEMBL8639303 0.82 CRACR2A (0.42) PTGS2PTGS1PTGES2
SCHEMBL8641063 0.82 CRACR2A (0.42) PTGS2PTGS1PTGES2
SCHEMBL8693109 0.81 PTGS2 (0.35) PTGS2PTGS1CA2CA12CA9
SCHEMBL8637272 0.81 CRACR2A (0.43) PTGS2PTGS1
SCHEMBL3241887 0.79 PTGS2 (0.56) PTGS2PTGS1CA2CA12CA9
SCHEMBL9116198 0.76 NPC1 (0.47) PTGS2PTGS1SLC5A1
SCHEMBL6736041 0.75 TLR8 (0.34) PTGS2PTGS1EPHX2
SCHEMBL7928751 0.75 PTGS2 (0.66) PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5760068-A NONSTEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G.D. SEARLE & CO. (US) 1998-06-02 US claimed
US-5760068-A NONSTEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G.D. SEARLE & CO. (US) 1998-06-02 US disclosed
US-5756529-A ANTIINFLAMMATORY G.D. SEARLE & CO. (US) 1998-05-26 US disclosed
US-5753688-A ANTIINFLAMMATORY TALLEY JOHN J (US) 1998-05-19 US disclosed
US-5521207-A Substituted pyrazolyl benzenesulfonamide for the treatment of inflammation G.D. SEARLE & CO. (US) 1996-05-28 US disclosed
US-5510496-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1996-04-23 US disclosed
US-5504215-A Substituted pyrazolyl benzenesulfonamide compounds for the treatment of inflammation G. D. SEARLE & CO. (US) 1996-04-02 US disclosed