SCHEMBL8629957

SCHEMBL8629957

CCn1nc(-c2ccccc2S(N)(=O)=O)c(-c2ccc(OC)c(C)c2)c1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.48
PTGS1 P23219 5/20 0.48
F10 P00742 7/20 0.41
P2RX3 P56373 1/20 0.36
F2 P00734 1/20 0.36
NR1H2 P55055 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
SCHEMBL8631748 0.91 PTGS2 (0.51) PTGS2PTGS1F10F2
SCHEMBL8630046 0.90 PTGS2 (0.42) PTGS2PTGS1F10
SCHEMBL8628051 0.89 PTGS2 (0.41) PTGS2PTGS1F10P2RX3
SCHEMBL8634283 0.89 F10 (0.42) PTGS2PTGS1F10P2RX3F2
SCHEMBL8634387 0.88 PTGS2 (0.46) PTGS2PTGS1F10P2RX3NR1H2
SCHEMBL8629753 0.86 PTGS2 (0.53) PTGS2PTGS1F10F2
SCHEMBL8634613 0.86 PTGS2 (0.55) PTGS2PTGS1F10F2
SCHEMBL7773155 0.85 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL8630025 0.85 PTGS2 (0.58) PTGS2PTGS1F10F2
SCHEMBL8629097 0.84 PTGS2 (0.45) PTGS2PTGS1F10F2

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