SCHEMBL8308575

SCHEMBL8308575

CS(=O)(=O)c1ccc(-c2cc3ccccc3n2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.68
PTGS1 P23219 3/20 0.55
HAO1 Q9UJM8 1/20 0.46

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
SCHEMBL8303948 0.89 PTGS2 (0.59) PTGS2PTGS1HAO1
SCHEMBL3000770 0.89 HAO1 (0.56) PTGS2PTGS1HAO1
SCHEMBL8570396 0.89 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL8310335 0.88 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL8304895 0.88 PTGS2 (0.56) PTGS2PTGS1HAO1
SCHEMBL8308253 0.87 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL8444527 0.85 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL8304224 0.85 PTGS2 (0.52) PTGS2PTGS1HAO1
SCHEMBL23024879 0.82 AOC3 (0.52) PTGS2HAO1
SCHEMBL15353204 0.82 AOC3 (0.56) PTGS2HAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915848-A1 1,2-DIARYLINDOLE AS COX-2 INHIBITORS LABORATOIRES UPSA (FR) 1999-05-19 EP claimed
US-5723485-A ANALGESIC, ANTIINFLAMMATORY AGENTS LABORATORIES UPSA (FR) 1998-03-03 US claimed
WO-1998005639-A1 1,2-DIARYLINDOLE AS COX-2 INHIBITORS LABORATOIRES UPSA (FR) 1998-02-12 WO claimed
EP-0915848-A1 1,2-DIARYLINDOLE AS COX-2 INHIBITORS LABORATOIRES UPSA (FR) 1999-05-19 EP disclosed
US-5723485-A ANALGESIC, ANTIINFLAMMATORY AGENTS LABORATORIES UPSA (FR) 1998-03-03 US disclosed
WO-1998005639-A1 1,2-DIARYLINDOLE AS COX-2 INHIBITORS LABORATOIRES UPSA (FR) 1998-02-12 WO disclosed