SCHEMBL8632879

SCHEMBL8632879

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

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.58
PTGS1 P23219 3/20 0.58
F10 P00742 6/20 0.37
F2 P00734 2/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.34
TRPV1 Q8NER1 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
SCHEMBL8630025 0.92 PTGS2 (0.58) PTGS2PTGS1F10F2TRPV1
SCHEMBL8488736 0.92 PTGS2 (0.55) PTGS2PTGS1F10F2TRPV1
SCHEMBL8629123 0.92 PTGS2 (0.70) PTGS2PTGS1F10TRPV1
SCHEMBL8630541 0.91 PTGS2 (0.57) PTGS2PTGS1F10F2PRSS1
SCHEMBL8631391 0.90 PTGS2 (0.55) PTGS2PTGS1F10TRPV1
SCHEMBL8634613 0.90 PTGS2 (0.55) PTGS2PTGS1F10F2
SCHEMBL8633059 0.90 PTGS2 (0.55) PTGS2PTGS1F10F2TRPV1
SCHEMBL8630202 0.88 PTGS2 (0.49) PTGS2PTGS1F10F2
SCHEMBL8630171 0.88 PTGS2 (0.45) PTGS2PTGS1F10F2PRSS1
SCHEMBL8635364 0.86 PTGS2 (0.44) 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