SCHEMBL7501079

SCHEMBL7501079

NS(=O)(=O)c1ccc(-c2nc(Cc3ccccc3)oc2-c2ccc(F)c(F)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
CA9 Q16790 3/20 0.47
CA12 O43570 2/20 0.47
CA14 Q9ULX7 1/20 0.47
PTGS2 P35354 9/20 0.46
PTGS1 P23219 7/20 0.46
LDHA P00338 2/20 0.42
LDHB P07195 2/20 0.42
MAPT P10636 1/20 0.41
PDPK1 O15530 1/20 0.40
SOS1 Q07889 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 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
SCHEMBL7508644 0.96 CA1 (0.47) CA1CA2CA9CA12CA14
SCHEMBL7503580 0.91 PTGS2 (0.49) CA1CA2CA9CA12CA14
SCHEMBL7503630 0.91 PTGS2 (0.49) CA1CA2CA9CA12CA14
SCHEMBL7506375 0.89 PTGS2 (0.51) PTGS2PTGS1MAPT
SCHEMBL7507251 0.88 PTGS2 (0.48) CA1CA2CA9CA12CA14
SCHEMBL7501679 0.88 PTGS2 (0.55) PTGS2PTGS1MAPT
SCHEMBL7506561 0.88 RXRA (0.53) CA1CA2CA9CA12CA14
SCHEMBL7501237 0.88 PTGS2 (0.61) CA1CA2CA9CA12CA14
SCHEMBL7505500 0.88 PTGS2 (0.61) CA1CA2CA9CA12CA14
SCHEMBL7501428 0.87 CA1 (0.55) CA1CA2CA9CA12CA14

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 7 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