SCHEMBL8631385

SCHEMBL8631385

CC=Cn1nc(-c2ccccc2S(N)(=O)=O)c(-c2ccc(Cl)cc2)c1C#N

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.39
PTGS2 P35354 3/20 0.36
PTGS1 P23219 2/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
ENPP3 O14638 1/20 0.33
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
PSD A5PKW4 1/20 0.33

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
SCHEMBL8627619 0.91 F10 (0.37) F10PTGS2CA12CA2CA9
SCHEMBL8630033 0.85 F10 (0.39) F10PTGS2PTGS1KDM4EALDH1A1
SCHEMBL7777305 0.83 PTGS2 (0.47) PTGS2PTGS1CA12CA1CA2
SCHEMBL8628074 0.82 F10 (0.40) F10PTGS2PTGS1F2PRSS1
SCHEMBL8629763 0.82 F10 (0.39) F10PTGS2PTGS1F2PRSS1
SCHEMBL8632806 0.82 F10 (0.36) F10PTGS2PTGS1KDM4EALDH1A1
SCHEMBL8632244 0.82 PTGS2 (0.45) F10PTGS2PTGS1ALDH1A1
SCHEMBL8629352 0.82 F10 (0.38) F10PTGS2PTGS1KDM4EALDH1A1
SCHEMBL8631157 0.80 F10 (0.36) F10PTGS2PTGS1KDM4EALDH1A1
SCHEMBL8629956 0.80 PTGS2 (0.37) F10PTGS2PTGS1KDM4EALDH1A1

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