SCHEMBL8367658

SCHEMBL8367658

Cc1ccc(N[S+]([O-])Cc2ccc(F)cc2Cl)c(=O)n1CC(=O)NC1CCc2nc(N)sc2C1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 18/20 0.75
F10 P00742 7/20 0.75
SCN4A P35499 1/20 0.39
SCN3A Q9NY46 1/20 0.39

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
SCHEMBL8368401 0.90 F2 (0.61) F2F10SCN4ASCN3A
SCHEMBL13885759 0.86 F2 (1.00) F2F10
SCHEMBL4417768 0.86 F2 (1.00) F2F10
SCHEMBL8368339 0.77 F2 (0.84) F2F10
SCHEMBL4421266 0.74 F2 (0.76) F2F10SCN4ASCN3A
SCHEMBL4431600 0.73 F2 (1.00) F2F10
SCHEMBL4420061 0.72 F2 (1.00) F2F10
SCHEMBL4428932 0.71 F2 (0.85) F2F10
SCHEMBL4422054 0.71 F2 (1.00) F2F10
SCHEMBL13885838 0.71 F2 (1.00) F2F10

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
WO-2003048155-A1 THROMBIN INHIBITORS UNIVERSITY OF LJUBLJANA (SI) 2003-06-12 WO disclosed