SCHEMBL8631391

SCHEMBL8631391

CCn1nc(-c2ccccc2S(N)(=O)=O)c(-c2ccc(C#N)cc2)c1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.55
PTGS1 P23219 1/20 0.55
CYP11B2 P19099 2/20 0.38
F10 P00742 3/20 0.37
TRPV1 Q8NER1 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
PTGES2 Q9H7Z7 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
CNR1 P21554 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL8632879 0.90 PTGS2 (0.58) PTGS2PTGS1F10TRPV1
SCHEMBL8630025 0.89 PTGS2 (0.58) PTGS2PTGS1F10TRPV1CA12
SCHEMBL8629123 0.89 PTGS2 (0.70) PTGS2PTGS1F10TRPV1
SCHEMBL8630541 0.88 PTGS2 (0.57) PTGS2PTGS1F10
SCHEMBL8488736 0.87 PTGS2 (0.55) PTGS2PTGS1F10TRPV1PTGDR2
SCHEMBL8633059 0.86 PTGS2 (0.55) PTGS2PTGS1F10TRPV1PTGES2
SCHEMBL8634613 0.86 PTGS2 (0.55) PTGS2PTGS1F10
SCHEMBL7777824 0.83 PTGS2 (0.78) PTGS2PTGS1CNR1CA12CA1
SCHEMBL8632205 0.83 PTGS2 (0.45) PTGS2PTGS1F10CA12CA1
SCHEMBL8628841 0.82 PTGS2 (0.43) PTGS2PTGS1F10TRPV1

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