SCHEMBL8628841

SCHEMBL8628841

N#CCn1nc(-c2ccccc2S(N)(=O)=O)c(-c2ccccc2)c1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.43
PTGS1 P23219 2/20 0.43
F10 P00742 7/20 0.34
F2 P00734 3/20 0.33
PRSS1 P07477 2/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33
TRPV1 Q8NER1 2/20 0.32

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
SCHEMBL8630861 0.93 PTGS2 (0.53) PTGS2PTGS1F10F2PRSS1
SCHEMBL8632205 0.92 PTGS2 (0.45) PTGS2PTGS1F10F2ALOX5AP
SCHEMBL8631579 0.92 PTGS2 (0.42) PTGS2PTGS1F10F2PRSS1
SCHEMBL8629107 0.89 PTGS2 (0.43) PTGS2PTGS1F10F2PRSS1
SCHEMBL8631395 0.89 F10 (0.47) PTGS2PTGS1F10F2
SCHEMBL8629412 0.88 PTGS2 (0.38) PTGS2PTGS1F10F2
SCHEMBL8632378 0.86 PTGS2 (0.41) PTGS2PTGS1F10F2PRSS1
SCHEMBL8632879 0.86 PTGS2 (0.58) PTGS2PTGS1F10F2PRSS1
SCHEMBL8630171 0.85 PTGS2 (0.45) PTGS2PTGS1F10F2PRSS1
SCHEMBL7779690 0.84 PTGS2 (0.62) PTGS2PTGS1

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