SCHEMBL8631083

SCHEMBL8631083

NS(=O)(=O)c1ccccc1-c1n[nH]cc1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 5/20 0.53
PTGS1 P23219 2/20 0.43
PTGS2 P35354 2/20 0.43
F10 P00742 2/20 0.42
ALOX5AP P20292 3/20 0.39
FEN1 P39748 3/20 0.39
MAOB P27338 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
F2 P00734 1/20 0.38
IDO1 P14902 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
TRPV1 Q8NER1 2/20 0.38
MAOA P21397 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
SCHEMBL8628952 0.86 PTGS2 (0.41) PTGES2PTGS1PTGS2F10ALOX5AP
SCHEMBL8627977 0.86 PTGS2 (0.50) PTGES2PTGS1PTGS2F10CA12
SCHEMBL8631662 0.85 F10 (0.42) PTGES2F10MAOBIDO1CA12
SCHEMBL8631176 0.84 PTGS2 (0.46) PTGES2PTGS1PTGS2CA12CA1
SCHEMBL7780688 0.83 MAOA (0.52) PTGES2PTGS1PTGS2MAOBCA12
SCHEMBL8634777 0.83 CA1 (0.40) PTGES2PTGS1PTGS2F10CA12
SCHEMBL8632289 0.83 AKR1B1 (0.40) PTGS2F10CA12CA1CA2
SCHEMBL8629390 0.82 PTGES2 (0.43) PTGES2PTGS2F10NPSR1CA12
SCHEMBL8630031 0.82 PTGS2 (0.41) PTGS1PTGS2F10ALOX5APFEN1
SCHEMBL8632961 0.82 F10 (0.40) F10ALOX5APFEN1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5756530-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G. D. SEARLE & CO. (US) 1998-05-26 US disclosed