SCHEMBL6016958

SCHEMBL6016958

CCOC(=O)OC(C)OC(=O)c1ccc2[nH]cnc2c1.CCOC(=O)OC(C)OC(=O)c1ccc2c(c1)nc(C(=O)NC1CCN(C(C)C)CC1)n2CC(=O)Nc1ccc(Cl)cn1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.50
F2 P00734 2/20 0.50
NPC1 O15118 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL6016959 0.96 F10 (0.49) F10F2NPC1USP2ALDH1A1
SCHEMBL3371303 0.94 F10 (0.56) F10F2NPC1USP2ALDH1A1
SCHEMBL6016807 0.89 F10 (0.56) F10F2
SCHEMBL1379952 0.89 F10 (0.56) F10F2
SCHEMBL3372431 0.86 F10 (0.54) F10F2ALDH1A1
SCHEMBL3367570 0.84 F10 (0.63) F10F2
SCHEMBL3370081 0.81 F10 (0.54) F10F2ALDH1A1
SCHEMBL3369596 0.81 F10 (0.65) F10F2
SCHEMBL6016900 0.81 F10 (0.57) F10F2
SCHEMBL1382269 0.81 F10 (0.57) F10F2

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