SCHEMBL8629795

SCHEMBL8629795

CCn1nc(-c2ccccc2S(N)(=O)=O)c(-c2ccc(Cl)cc2)c1CO

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.40
PTGS1 P23219 3/20 0.40
F10 P00742 11/20 0.38
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.36
NR1H3 Q13133 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
SCHEMBL8633695 0.90 F10 (0.39) PTGS2PTGS1F10F2PRSS1
SCHEMBL8628758 0.88 HTR7 (0.40) PTGS2PTGS1F10PTGDR2NR1H3
SCHEMBL8633221 0.87 PTGS2 (0.38) PTGS2PTGS1F10F2PRSS1
SCHEMBL8631669 0.86 PTGES2 (0.38) PTGS2PTGS1F10F2PRSS1
SCHEMBL8632316 0.86 PTGS1 (0.40) PTGS2PTGS1F10F2PRSS1
SCHEMBL8635053 0.84 PTGS1 (0.44) PTGS2PTGS1F10PTGDR2NR1H3
SCHEMBL8628074 0.82 F10 (0.40) PTGS2PTGS1F10F2PRSS1
SCHEMBL7779901 0.82 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL8631607 0.82 PTGS1 (0.38) PTGS2PTGS1F10F2PRSS1
SCHEMBL8630541 0.82 PTGS2 (0.57) 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