SCHEMBL7500957

SCHEMBL7500957

NS(=O)(=O)c1ccc(-c2oc(COCc3ccccc3)nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.57
PTGS1 P23219 8/20 0.57
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA12 O43570 4/20 0.43
CA9 Q16790 4/20 0.43
CA7 P43166 2/20 0.43
CA4 P22748 1/20 0.41
CA5A P35218 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
CA14 Q9ULX7 1/20 0.40

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
SCHEMBL6026179 0.89 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL7505500 0.87 PTGS2 (0.61) PTGS2PTGS1MAOAMAOBCA1
SCHEMBL7501237 0.87 PTGS2 (0.61) PTGS2PTGS1MAOAMAOBCA1
SCHEMBL7501777 0.86 PTGS2 (0.58) PTGS2PTGS1MAOAMAOBCA1
SCHEMBL7501412 0.86 PTGS2 (0.60) PTGS2PTGS1MAOAMAOBCA1
SCHEMBL8559954 0.85 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL7502663 0.85 PTGS2 (0.57) PTGS2PTGS1MAOAMAOBCA1
SCHEMBL7510284 0.85 PTGS2 (0.57) PTGS2PTGS1MAOAMAOBCA1
SCHEMBL7501020 0.84 PTGS2 (0.58) PTGS2PTGS1MAOAMAOBCA1
SCHEMBL8546102 0.83 PTGS2 (0.66) PTGS2PTGS1MAOAMAOBCA1

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 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
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