SCHEMBL8629992

SCHEMBL8629992

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.48
PTGS2 P35354 4/20 0.45
PTGS1 P23219 1/20 0.45
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
PTGES2 Q9H7Z7 1/20 0.39
F10 P00742 2/20 0.39
F2 P00734 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 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
SCHEMBL8631182 0.93 PTGS2 (0.44) PTGS2NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL8628183 0.89 PTGS2 (0.52) PKMPTGS2PTGS1NPC1RAB9A
SCHEMBL8631646 0.89 SMN1; SMN2 (0.54) PTGS2NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL8631834 0.87 PTGS2 (0.46) PTGS2PTGS1RAB9AALDH1A1CA12
SCHEMBL8627595 0.86 F10 (0.48) PTGS2NPC1RAB9AL3MBTL1F10
SCHEMBL7780480 0.86 PTGS2 (0.55) PKMPTGS2PTGS1NPC1RAB9A
SCHEMBL8634432 0.85 PTGS2 (0.44) PTGS2PTGS1PTGES2F10F2
SCHEMBL8628002 0.84 PTGS2 (0.43) PTGS2PTGS1RAB9AMAPTALDH1A1
SCHEMBL8627604 0.82 PTGS2 (0.41) PTGS2PTGS1F10F2PRSS1
SCHEMBL8631512 0.82 LMNA (0.46) PTGS2NPC1RAB9ASMN1; SMN2LMNA

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