SCHEMBL8368339

SCHEMBL8368339

CNc1nc2c(s1)CC(NC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc3ccc(F)cc3Cl)c1=O)CC2

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.84
F10 P00742 8/20 0.84

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
SCHEMBL4417768 0.91 F2 (1.00) F2F10
SCHEMBL13885759 0.91 F2 (1.00) F2F10
SCHEMBL8367658 0.77 F2 (0.75) F2F10
SCHEMBL4420061 0.75 F2 (1.00) F2F10
SCHEMBL4424824 0.74 F2 (0.77) F2F10
SCHEMBL4424137 0.74 F2 (0.58) F2F10
SCHEMBL4428932 0.74 F2 (0.85) F2F10
SCHEMBL13893728 0.73 F2 (0.59) F2F10
SCHEMBL4422054 0.73 F2 (1.00) F2F10
SCHEMBL13885838 0.73 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