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Sugi Predict / Compounds / Benzenesulfonamide

Benzenesulfonamide

Benzenesulfonamide

SCHEMBL7050658

Cc1cc(F)cc(-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 19/20 0.62
▸ PTGS1 P23219 15/20 0.62

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
SCHEMBL7860657 0.95 PTGS2 (0.54) PTGS2PTGS1
Benzenesulfonamide SCHEMBL7189185 0.86 PTGS2 (0.61) PTGS2PTGS1
Benzenesulfonamide SCHEMBL7932083 0.86 PTGS2 (0.62) PTGS2PTGS1
Imidazole SCHEMBL7930105 0.85 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL8347213 0.83 PTGS2 (0.55) PTGS2PTGS1
Benzenesulfonamide SCHEMBL7049598 0.81 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL8348990 0.80 PTGS2 (0.54) PTGS2PTGS1
Benzenesulfonamide SCHEMBL7048970 0.80 PTGS2 (0.62) PTGS2PTGS1
Sulfamide SCHEMBL4638353 0.77 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL214106 0.77 PTGS2 (1.00) 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
EP-1299122-A2 COMBINATION OF A COX-2 INHIBITOR AND A VASOMODULATOR FOR TREATING PAIN AND HEADACHE PAIN Pharmacia Corporation (US) 2003-04-09 — — EP claimed
WO-2002005799-A2 COMBINATION OF A COX-2 INHIBITOR AND A VASOMODULATOR FOR TREATING PAIN AND HEADACHE PAIN PHARMACIA CORPORATION (US) 2002-01-24 — — WO claimed