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Sugi Predict / Compounds / Benzenesulfonamide

Benzenesulfonamide

Benzenesulfonamide

SCHEMBL7932083

Cc1cncc(-c2nc(C(F)(F)F)cn2NS(=O)(=O)c2ccccc2)c1.NS(=O)(=O)c1ccccc1

nearest known ligand 0.62

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 20/20 0.62
▸ PTGS1 P23219 12/20 0.48

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
SCHEMBL8348990 0.95 PTGS2 (0.54) PTGS2PTGS1
Benzenesulfonamide SCHEMBL7189185 0.86 PTGS2 (0.61) PTGS2PTGS1
Benzenesulfonamide SCHEMBL7050658 0.86 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL7773789 0.81 PTGS2 (0.50) PTGS2PTGS1
Benzenesulfonamide SCHEMBL7049598 0.81 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL7860657 0.80 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL8350247 0.80 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL8347213 0.79 PTGS2 (0.55) PTGS2PTGS1
Benzenesulfonamide SCHEMBL7048970 0.78 PTGS2 (0.62) PTGS2PTGS1
Sulfamide SCHEMBL4638575 0.77 PTGS2 (0.80) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2001527542-A — — 2001-12-25 — — JP claimed
EP-0979077-A1 METHOD OF USING CYCLOOXYGENASE-2 INHIBITORS IN THE PREVENTION OF CARDIOVASCULAR DISORDERS G.D. Searle & Co. (US) 2000-02-16 — — EP claimed
WO-1998047509-A1 METHOD OF USING CYCLOOXYGENASE-2 INHIBITORS IN THE PREVENTION OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1998-10-29 — — WO claimed
EP-0932402-A1 METHOD OF USING CYCLOOXYGENASE-2 INHIBITORS IN THE TREATMENT AND PREVENTION OF NEOPLASIA G.D. SEARLE & CO. (US) 1999-08-04 — — EP disclosed
WO-1998016227-A1 METHOD OF USING CYCLOOXYGENASE-2 INHIBITORS IN THE TREATMENT AND PREVENTION OF NEOPLASIA G.D. SEARLE & CO. (US) 1998-04-23 — — WO disclosed