Sugi Predict

Sugi Predict / Compounds / SCHEMBL6016917

SCHEMBL6016917

SCHEMBL6016917

CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2c1nc(C(=O)NC1CCN(C(C)C)CC1)n2Cc1cc(-c2ccc(Cl)s2)on1.CC(OC(=O)OC1CCCCC1)OC(=O)c1cccc2c1nc(C(=O)NC1CCN(C(C)C)CC1)n2Cc1cc(-c2ccc(Cl)s2)on1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 20/20 0.66
▸ F2 P00734 2/20 0.59
▸ KLK1 P06870 1/20 0.59

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
SCHEMBL1377694 1.00 F10 (0.66) F10F2KLK1
SCHEMBL1377772 0.91 F10 (0.68) F10F2KLK1
SCHEMBL1378264 0.89 F10 (0.76) F10F2KLK1
SCHEMBL1675032 0.89 F10 (0.71) F10F2KLK1
SCHEMBL1379106 0.87 F10 (0.68) F10F2KLK1
SCHEMBL1379493 0.86 F10 (0.78) F10F2KLK1
SCHEMBL1382240 0.86 F10 (0.71) F10F2KLK1
SCHEMBL1381934 0.86 F10 (0.71) F10F2KLK1
SCHEMBL3373205 0.84 F10 (0.75) F10F2KLK1
SCHEMBL1381214 0.84 F10 (0.74) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636216-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-03-22 — — EP disclosed
WO-2004101553-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 — — WO disclosed