SCHEMBL8627604

SCHEMBL8627604

CN(C)CCn1cc(-c2ccc(Cl)cc2)c(-c2ccccc2S(N)(=O)=O)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.41
PTGS1 P23219 1/20 0.41
F10 P00742 8/20 0.41
F2 P00734 2/20 0.41
PRSS1 P07477 2/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
HTR6 P50406 2/20 0.37
BRAF P15056 1/20 0.37
MAPK3 P27361 1/20 0.37
MAPK1 P28482 1/20 0.37
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
ADRA1B P35368 1/20 0.36

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
SCHEMBL8629705 0.91 PTGIR (0.43) PTGS2F10F2PRSS1PRSS2
SCHEMBL8630931 0.90 F10 (0.39) PTGS2F10F2PRSS1PRSS2
SCHEMBL8631461 0.89 PTGS2 (0.49) PTGS2PTGS1F10F2PRSS1
SCHEMBL8632189 0.87 MEN1 (0.50) F10F2
SCHEMBL8634432 0.85 PTGS2 (0.44) PTGS2PTGS1F10F2PRSS1
SCHEMBL8631834 0.85 PTGS2 (0.46) PTGS2PTGS1F10F2PRSS1
SCHEMBL7777697 0.84 PTGS2 (0.46) PTGS2PTGS1BRAFMAPK3MAPK1
SCHEMBL8628116 0.83 ALOX5AP (0.41) PTGS2F10F2PRSS1PRSS2
SCHEMBL8633277 0.82 PTGS2 (0.50) PTGS2PTGS1F10F2PRSS1
SCHEMBL8629992 0.82 PKM (0.48) PTGS2PTGS1F10F2PRSS1

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