SCHEMBL9089487

SCHEMBL9089487

CS(=O)(=O)c1ccc(-c2cc(C(N)=O)nn2-c2ccc3c(c2)OCO3)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.52
PTGS1 P23219 4/20 0.52
CHRNA7 P36544 3/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
AOC3 Q16853 1/20 0.44
ALOX5 P09917 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL9204576 0.81 PTGS2 (0.59) PTGS2PTGS1CHRNA7AOC3ALOX5
SCHEMBL9200880 0.81 PTGS2 (0.63) PTGS2PTGS1CHRNA7CA12CA1
SCHEMBL7467786 0.81 PTGS2 (0.70) PTGS2PTGS1CA12CA1CA2
SCHEMBL9199556 0.80 AOC3 (0.65) PTGS2PTGS1CHRNA7AOC3
SCHEMBL7465512 0.80 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL7466367 0.80 PTGS2 (0.55) PTGS2PTGS1CA12CA1CA2
SCHEMBL9209551 0.80 ALOX5 (0.60) PTGS2CHRNA7CA9ALOX5
SCHEMBL8925594 0.79 RARG (0.60) PTGS2CHRNA7AOC3ALOX5SMN1; SMN2
SCHEMBL8925566 0.79 CHRNA7 (0.57) PTGS2CHRNA7AOC3ALOX5SMN1; SMN2
SCHEMBL9208261 0.79 CHRNA7 (0.51) PTGS2CHRNA7AOC3ALOX5SMN1; SMN2

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
US-5550147-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTITHROMBOTIC AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-08-27 US disclosed
EP-0554829-A2 Pyrazole derivatives with antiinflammatory, analgesic and antithrombolic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-08-11 EP disclosed