SCHEMBL5398205

SCHEMBL5398205

Cn1nc(N2CCC(CN3C(=O)CN(S(=O)(=O)c4cc5cc(Cl)ccc5[nH]4)CC3C(=O)O)CC2)ccc1=O

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.48
KCNH2 Q12809 1/20 0.47
KLK1 P06870 1/20 0.40

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
SCHEMBL4936184 1.00 F10 (0.48) F10KCNH2KLK1
SCHEMBL4938564 0.92 F10 (0.50) F10KCNH2KLK1
SCHEMBL4938796 0.87 F10 (0.41) F10
SCHEMBL4883292 0.79 F2 (0.36) F10
SCHEMBL4893645 0.79 F2 (0.36) F10
SCHEMBL4885059 0.79 F2 (0.36) F10
SCHEMBL4939356 0.79 F10 (0.41) F10KCNH2
SCHEMBL5334159 0.79 F10 (0.47) F10KLK1
SCHEMBL4936118 0.78 F10 (0.49) F10KLK1
SCHEMBL1386823 0.77 KCNH2 (0.52) F10KCNH2KLK1

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-2007008143-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS INHIBITORS OF FACTOR XA ASTRAZENECA AB (SE) 2007-01-18 WO disclosed