SCHEMBL8633277

SCHEMBL8633277

Cn1cc(-c2ccc(Cl)cc2)c(-c2ccccc2S(N)(=O)=O)n1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.50
PTGS1 P23219 1/20 0.50
F10 P00742 12/20 0.48
F2 P00734 2/20 0.48
PRSS1 P07477 2/20 0.48
PRSS2 P07478 2/20 0.48
PRSS3 P35030 2/20 0.48
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
MAPK13 O15264 1/20 0.39
CSNK1D P48730 1/20 0.39
CSNK1E P49674 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 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
SCHEMBL8628190 0.90 F10 (0.48) PTGS2F10F2PRSS1PRSS2
SCHEMBL8630337 0.89 F10 (0.46) F10F2PRSS1PRSS2PRSS3
SCHEMBL8631026 0.88 CSNK1D (0.53) PTGS2PTGS1F10F2PRSS1
SCHEMBL8629361 0.86 TGFBR1 (0.53) F10F2PRSS1PRSS2PRSS3
SCHEMBL8631834 0.85 PTGS2 (0.46) PTGS2PTGS1F10F2PRSS1
SCHEMBL8634432 0.83 PTGS2 (0.44) PTGS2PTGS1F10F2PRSS1
SCHEMBL8630001 0.83 PTGS2 (0.44) PTGS2PTGS1F10F2PRSS1
SCHEMBL8627604 0.82 PTGS2 (0.41) PTGS2PTGS1F10F2PRSS1
SCHEMBL8629992 0.81 PKM (0.48) PTGS2PTGS1F10F2PRSS1
SCHEMBL28362934 0.81 PTGS2 (0.68) PTGS2PTGS1F10KDM4EALDH1A1

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