SCHEMBL8985240

SCHEMBL8985240

CS(=O)(=O)c1ccc(-c2ccsc2-c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.69
PTGS1 P23219 2/20 0.49
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
KCNJ1 P48048 1/20 0.43
KCNH2 Q12809 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
SCHEMBL6512539 0.81 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8985381 0.81 PTGS1 (0.60) PTGS2PTGS1
SCHEMBL9259229 0.81 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8985356 0.81 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8985476 0.80 PTGS1 (0.62) PTGS2PTGS1
SCHEMBL6513427 0.78 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL515001 0.78 CA1 (0.61) PTGS2CA12CA1CA2CA9
SCHEMBL8985340 0.77 PTGS2 (0.70) PTGS2PTGS1CA12CA1CA2
SCHEMBL6513901 0.75 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL6517779 0.74 PTGS2 (0.68) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5571810-A ANTIINFLAMMATORY AGENTS, ANALGESICS, COLLAGEN DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-05 US disclosed
EP-0593761-A1 NEW THIOPHENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP disclosed