Imidazole

Imidazole

SCHEMBL7930105

Cc1cc(F)cc(-c2nc(C(F)(F)F)cn2NS(=O)(=O)c2ccccc2)c1.c1c[nH]cn1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.46
PTGS1 P23219 6/20 0.45
SYK P43405 3/20 0.37
F2 P00734 1/20 0.33

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 0.90 PTGS2 (0.54) PTGS2PTGS1SYK
Benzenesulfonamide SCHEMBL7050658 0.85 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL8347213 0.79 PTGS2 (0.55) PTGS2PTGS1SYK
SCHEMBL8348990 0.78 PTGS2 (0.54) PTGS2PTGS1SYK
SCHEMBL7867027 0.74 PTGS2 (0.43) PTGS2PTGS1SYK
Benzenesulfonamide SCHEMBL7932083 0.74 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL8350247 0.73 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL8346344 0.71 PTGS2 (0.55) PTGS2PTGS1
Benzenesulfonamide SCHEMBL7189185 0.71 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL8025611 0.71 PTGS2 (0.55) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2001505564-A 2001-04-24 JP claimed
WO-2000038716-A9 COMBINATION THERAPY OF RADIATION AND A COX-2 INHIBITOR FOR THE TREATMENT OF NEOPLASIA SEARLE & CO (US) 2000-11-30 WO claimed
EP-0941080-A2 METHOD OF USING CYCLOOXYGENASE-2 INHIBITORS AS ANTI-ANGIOGENIC AGENTS G.D. SEARLE & CO. (US) 1999-09-15 EP claimed
WO-1998022101-A2 METHOD OF USING CYCLOOXYGENASE-2 INHIBITORS AS ANTI-ANGIOGENIC AGENTS G.D. SEARLE & CO. (US) 1998-05-28 WO 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 disclosed
WO-1998047509-A1 METHOD OF USING CYCLOOXYGENASE-2 INHIBITORS IN THE PREVENTION OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1998-10-29 WO disclosed