SCHEMBL3374228

SCHEMBL3374228

O=C(NC1CCN(c2ccncn2)CC1)Oc1nc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.72
F2 P00734 8/20 0.60
KLK1 P06870 2/20 0.52
PLAT P00750 1/20 0.51

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
SCHEMBL15911407 0.88 F10 (0.82) F10F2KLK1PLAT
SCHEMBL3372764 0.85 F10 (0.77) F10F2KLK1
SCHEMBL1674999 0.84 F10 (1.00) F10F2KLK1
SCHEMBL3372803 0.82 F10 (0.60) F10F2KLK1
SCHEMBL15911446 0.79 F10 (0.68) F10F2KLK1
SCHEMBL15911394 0.79 F10 (0.80) F10F2KLK1PLAT
SCHEMBL3369778 0.78 F10 (0.70) F10F2KLK1
SCHEMBL4605784 0.76 F10 (0.60) F10F2KLK1PLAT
SCHEMBL1675302 0.75 F10 (0.84) F10F2KLK1
SCHEMBL1674930 0.75 F10 (1.00) F10F2KLK1

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
EP-1636216-B1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2010-07-21 EP claimed