SCHEMBL8629101

SCHEMBL8629101

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.39
PTGS2 P35354 7/20 0.37
PTGS1 P23219 3/20 0.37
SCN9A Q15858 2/20 0.36
SCN5A Q14524 1/20 0.36
F2 P00734 3/20 0.34
PRSS1 P07477 2/20 0.34
PRSS2 P07478 2/20 0.34
PRSS3 P35030 2/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL8633256 0.88 PTGS2 (0.44) F10PTGS2PTGS1SCN9ASCN5A
SCHEMBL8631641 0.88 PTGS2 (0.43) F10PTGS2PTGS1SCN9ASCN5A
SCHEMBL8630202 0.86 PTGS2 (0.49) F10PTGS2PTGS1SCN9AF2
SCHEMBL7779248 0.86 PTGS2 (0.53) PTGS2PTGS1SCN9ASCN5ACA12
SCHEMBL8631963 0.86 F10 (0.42) F10PTGS2PTGS1SCN9ASCN5A
SCHEMBL8631752 0.86 PTGS2 (0.37) F10PTGS2PTGS1F2PRSS1
SCHEMBL8627992 0.85 PTGS2 (0.52) F10PTGS2PTGS1SCN9ASCN5A
SCHEMBL8633211 0.84 PTGS2 (0.42) F10PTGS2PTGS1SCN9ASCN5A
SCHEMBL8634283 0.84 F10 (0.42) F10PTGS2PTGS1SCN9ASCN5A
SCHEMBL8631241 0.84 F10 (0.38) F10PTGS2PTGS1SCN9ASCN5A

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