SCHEMBL8627992

SCHEMBL8627992

NS(=O)(=O)c1ccccc1-c1nn(CCCO)c(C(F)(F)F)c1-c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.52
PTGS1 P23219 2/20 0.52
SCN5A Q14524 2/20 0.39
SCN9A Q15858 2/20 0.39
F10 P00742 8/20 0.38
F2 P00734 3/20 0.36
PRSS1 P07477 2/20 0.35
PRSS2 P07478 2/20 0.35
PRSS3 P35030 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL8631641 0.93 PTGS2 (0.43) PTGS2PTGS1SCN5ASCN9AF10
SCHEMBL8633211 0.91 PTGS2 (0.42) PTGS2PTGS1SCN5ASCN9AF10
SCHEMBL8633256 0.91 PTGS2 (0.44) PTGS2PTGS1SCN5ASCN9AF10
SCHEMBL8632644 0.89 PTGS2 (0.42) PTGS2PTGS1SCN5ASCN9AF10
SCHEMBL8631660 0.89 F10 (0.50) PTGS2PTGS1SCN9AF10F2
SCHEMBL8631963 0.87 F10 (0.42) PTGS2PTGS1SCN5ASCN9AF10
SCHEMBL8632288 0.86 PTGS2 (0.67) PTGS2PTGS1F10F2PRSS1
SCHEMBL8629123 0.86 PTGS2 (0.70) PTGS2PTGS1F10
SCHEMBL8629556 0.85 PTGS2 (0.53) PTGS2PTGS1F10F2PRSS1
SCHEMBL8629101 0.85 F10 (0.39) PTGS2PTGS1SCN5ASCN9AF10

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