SCHEMBL8629412

SCHEMBL8629412

Cc1ccccc1-c1c(-c2ccccc2S(N)(=O)=O)nn(CC#N)c1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.38
PTGS1 P23219 3/20 0.38
F10 P00742 5/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
CA2 P00918 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
SCN9A Q15858 1/20 0.31
SDHB P21912 1/20 0.31
USP8 P40818 1/20 0.31
F2 P00734 1/20 0.30

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
SCHEMBL8632205 0.88 PTGS2 (0.45) PTGS2PTGS1F10CA2CA12
SCHEMBL8628841 0.88 PTGS2 (0.43) PTGS2PTGS1F10F2
SCHEMBL8630202 0.87 PTGS2 (0.49) PTGS2PTGS1F10CA2CA12
SCHEMBL7780360 0.86 PTGS2 (0.54) PTGS2PTGS1CA2CA12CA1
SCHEMBL8632378 0.86 PTGS2 (0.41) PTGS2PTGS1F10F2
SCHEMBL8630861 0.85 PTGS2 (0.53) PTGS2PTGS1F10F2
SCHEMBL8632872 0.84 PTGS2 (0.39) PTGS2PTGS1F10ALDH1A1CA2
SCHEMBL8631579 0.84 PTGS2 (0.42) PTGS2PTGS1F10F2
SCHEMBL8631997 0.84 PTGS2 (0.39) PTGS2PTGS1F10CA2CA1
SCHEMBL8629107 0.84 PTGS2 (0.43) 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