SCHEMBL8607283

SCHEMBL8607283

NS(=O)(=O)c1ccc(-c2oc(CNC(=O)NO)nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.57
PTGS1 P23219 4/20 0.57
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CA2 P00918 6/20 0.42
CA1 P00915 5/20 0.42
CA9 Q16790 5/20 0.42
CA12 O43570 4/20 0.42
CA4 P22748 2/20 0.42
CA7 P43166 2/20 0.42
NR4A2 P43354 1/20 0.41
PTGDR2 Q9Y5Y4 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
SCHEMBL8604308 0.89 RXRA (0.47) PTGS2PTGS1MAOAMAOBCA2
SCHEMBL8605984 0.89 RXRA (0.47) PTGS2PTGS1MAOAMAOBCA2
SCHEMBL6860698 0.89 PTGS2 (0.59) PTGS2PTGS1MAOAMAOBCA2
SCHEMBL8604016 0.86 CA2 (0.44) PTGS2PTGS1MAOAMAOBCA2
SCHEMBL6308685 0.86 PTGS2 (0.60) PTGS2PTGS1MAOAMAOBCA2
SCHEMBL8607286 0.84 PTGS1 (0.40) PTGS2PTGS1CA9NR4A2
SCHEMBL7508637 0.82 PTGS2 (0.67) PTGS2PTGS1MAOAMAOBCA2
SCHEMBL7503465 0.81 PTGS2 (0.62) PTGS2PTGS1MAOAMAOBCA2
SCHEMBL9097538 0.80 NR4A2 (0.56) PTGS2PTGS1CA2CA1CA9
SCHEMBL8604398 0.80 PTGS2 (0.48) PTGS2PTGS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0828718-A1 HETEROCYCLO SUBSTITUTED HYDROXAMIC ACID DERIVATIVES AS CYCLOOXYGENASE-2 AND 5-LIPOXYGENASE INHIBITORS G.D. SEARLE & CO. (US) 1998-03-18 EP disclosed
WO-1996038418-A1 HETEROCYCLO SUBSTITUTED HYDROXAMIC ACID DERIVATIVES AS CYCLOOXYGENASE-2 AND 5-LIPOXYGENASE INHIBITORS G.D. SEARLE & CO. (US) 1996-12-05 WO disclosed