SCHEMBL7513276

SCHEMBL7513276

NS(=O)(=O)c1ccc(-c2oc(Cc3ccccc3)nc2-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 8/20 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
▸ PDPK1 O15530 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
SCHEMBL7511649 0.91 CA1 (0.48) CA1CA2CA12CA9CA14
SCHEMBL7504190 0.91 PTGS2 (0.46) CA1CA2CA12CA9CA14
SCHEMBL7501473 0.89 PTGS2 (0.47) CA1CA2CA12CA9CA14
SCHEMBL7507771 0.89 PTGS2 (0.47) CA1CA2CA12CA9CA14
SCHEMBL7502918 0.89 CA1 (0.48) CA1CA2CA12CA9CA14
SCHEMBL7500791 0.89 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL7507254 0.88 PTGS2 (0.41) CA1CA2CA12CA9CA14
SCHEMBL7505619 0.88 PTGS2 (0.45) CA1CA2CA12CA9CA14
SCHEMBL7513361 0.87 NR4A2 (0.53) CA1CA2CA12CA9CA14
SCHEMBL7504983 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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