SCHEMBL7511649

SCHEMBL7511649

NS(=O)(=O)c1ccc(-c2nc(Cc3ccccc3)oc2-c2ccccc2F)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 6/20 0.48
▸ CA2 P00918 6/20 0.48
▸ CA12 O43570 3/20 0.48
▸ CA9 Q16790 3/20 0.48
▸ CA14 Q9ULX7 1/20 0.48
▸ PTGS2 P35354 11/20 0.45
▸ PTGS1 P23219 6/20 0.45
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ SCD O00767 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ NR4A2 P43354 1/20 0.39

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
SCHEMBL7513276 0.91 CA1 (0.48) CA1CA2CA12CA9CA14
SCHEMBL7501558 0.91 PTGS2 (0.46) CA1CA2CA12CA9CA14
SCHEMBL7507196 0.89 PTGS2 (0.47) CA1CA2CA12CA9CA14
SCHEMBL7511376 0.89 PTGS2 (0.47) CA1CA2CA12CA9CA14
SCHEMBL7502985 0.89 CA1 (0.48) CA1CA2CA12CA9CA14
SCHEMBL7503061 0.89 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL7506144 0.88 PTGS2 (0.41) CA1CA2CA12CA9CA14
SCHEMBL7508549 0.88 PTGS2 (0.45) CA1CA2CA12CA9CA14
SCHEMBL7500825 0.87 NR4A2 (0.55) CA1CA2CA12CA9CA14
SCHEMBL7504402 0.87 RXRA (0.53) CA1CA2CA12CA9CA14

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-0699192-B1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-07-24 — — EP disclosed
US-6090834-A ANALGESICS; RHEUMATIC DISORDERS; SKIN DISORDERS; GASTROINTESTINAL DISORDERS G.D. SEARLE & CO. (US) 2000-07-18 — — US disclosed
EP-0825989-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-03-04 — — EP disclosed
WO-1996036617-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-21 — — WO disclosed
EP-0699192-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-06 — — EP disclosed
WO-1994027980-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1994-12-08 — — WO disclosed
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