SCHEMBL7503097

SCHEMBL7503097

NS(=O)(=O)c1ccc(-c2nc(Cc3ccccc3)oc2-c2cccs2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 10/20 0.48
▸ CA1 P00915 9/20 0.48
▸ CA9 Q16790 6/20 0.48
▸ CA12 O43570 4/20 0.48
▸ CA14 Q9ULX7 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.41
▸ CA13 Q8N1Q1 1/20 0.40
▸ PTGS2 P35354 6/20 0.40
▸ PTGS1 P23219 4/20 0.40
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ NR4A1 P22736 1/20 0.38
▸ NR4A2 P43354 1/20 0.38
▸ NR4A3 Q92570 1/20 0.38

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
SCHEMBL7503734 0.91 CA2 (0.48) CA2CA1CA9CA12CA14
SCHEMBL7507694 0.89 PTGS2 (0.49) PTGS2PTGS1MAPTALDH1A1
SCHEMBL7501428 0.85 CA1 (0.55) CA2CA1CA9CA12CA14
SCHEMBL7503191 0.85 CA1 (0.55) CA2CA1CA9CA12CA14
SCHEMBL7501908 0.84 PTGS2 (0.54) CA2CA1CA9CA12CA14
SCHEMBL8555152 0.83 SCN9A (0.40) CA2CA9ALDH1A1
SCHEMBL7500825 0.81 NR4A2 (0.55) CA2CA1CA9CA12CA14
SCHEMBL7500801 0.81 RXRA (0.53) CA2CA1CA9CA12CA14
SCHEMBL7503904 0.81 RXRA (0.53) CA2CA1CA9CA12CA14
SCHEMBL7501237 0.81 PTGS2 (0.61) CA2CA1CA9CA12CA14

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 9 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 claimed
EP-0699192-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-06 — — EP claimed
WO-1994027980-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1994-12-08 — — WO claimed
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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