SCHEMBL8628183

SCHEMBL8628183

NS(=O)(=O)c1ccccc1-c1nn(Cc2ccccc2)cc1-c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.52
PTGS1 P23219 2/20 0.44
KMT2A Q03164 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SCN9A Q15858 1/20 0.38
GAA P10253 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
PKM P14618 1/20 0.38
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37

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
SCHEMBL8631182 0.92 PTGS2 (0.44) PTGS2KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8629992 0.89 PKM (0.48) PTGS2PTGS1NPC1RAB9ASMN1; SMN2
SCHEMBL8633781 0.89 PTGS2 (0.67) PTGS2PTGS1CA12CA1CA2
SCHEMBL8631646 0.88 SMN1; SMN2 (0.54) PTGS2KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7777584 0.86 PTGS2 (0.63) PTGS2PTGS1KMT2ACA12CA1
SCHEMBL8631051 0.86 PTGS2 (0.48) PTGS2PTGS1KMT2ALMNAMAPT
SCHEMBL8627595 0.85 F10 (0.48) PTGS2KMT2ANPC1RAB9ASCN9A
SCHEMBL8631512 0.85 LMNA (0.46) PTGS2KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8629226 0.84 PTGS2 (0.49) PTGS2PTGS1KMT2ACA12CA1
SCHEMBL8631613 0.83 PTGS2 (0.43) PTGS2PTGS1KMT2AMAPTALDH1A1

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