SCHEMBL8634283

SCHEMBL8634283

COc1ccc(-c2c(-c3ccccc3S(N)(=O)=O)nn(CCCO)c2C(F)(F)F)cc1C

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.42
PTGS2 P35354 6/20 0.41
PTGS1 P23219 4/20 0.41
PDE2A O00408 2/20 0.37
PDE4B Q07343 2/20 0.37
F2 P00734 1/20 0.37
SCN5A Q14524 2/20 0.37
SCN9A Q15858 2/20 0.37
P2RX3 P56373 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
SCHEMBL8630948 0.92 PTGS2 (0.46) F10PTGS2PTGS1PDE2APDE4B
SCHEMBL8629957 0.89 PTGS2 (0.48) F10PTGS2PTGS1F2P2RX3
SCHEMBL8628051 0.88 PTGS2 (0.41) F10PTGS2PTGS1P2RX3
SCHEMBL8631963 0.87 F10 (0.42) F10PTGS2PTGS1F2SCN5A
SCHEMBL8631660 0.87 F10 (0.50) F10PTGS2PTGS1F2SCN9A
SCHEMBL8630046 0.86 PTGS2 (0.42) F10PTGS2PTGS1PDE4B
SCHEMBL7773178 0.86 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL8634387 0.86 PTGS2 (0.46) F10PTGS2PTGS1P2RX3
SCHEMBL8633256 0.86 PTGS2 (0.44) F10PTGS2PTGS1F2SCN5A
SCHEMBL8629101 0.84 F10 (0.39) F10PTGS2PTGS1F2SCN5A

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