SCHEMBL6016873

SCHEMBL6016873

CC(C)(C)[Si](C)(C)OCCOc1cccc2c1nc(C(=O)O)n2CC(=O)Nc1ccc(Cl)cn1.CC(C)N1CCC(N)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.48
F2 P00734 2/20 0.48
NPY1R P25929 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL6016954 0.91 F10 (0.55) F10F2NPY1RALDH1A1
SCHEMBL3370984 0.90 RAB9A (0.40) F10F2ALDH1A1LMNANPC1
SCHEMBL1380548 0.80 F10 (0.65) F10F2
SCHEMBL3371312 0.79 F10 (0.45) F10F2ALDH1A1LMNANPC1
SCHEMBL1383452 0.79 F10 (0.63) F10F2
SCHEMBL6016870 0.79 F10 (0.39) F10F2ALDH1A1
SCHEMBL6016887 0.78 F10 (0.50) F10F2ALDH1A1
SCHEMBL1379117 0.78 F10 (0.61) F10F2
SCHEMBL3371687 0.78 RAB9A (0.45) F10F2ALDH1A1LMNANPC1
SCHEMBL3370092 0.77 RAB9A (0.45) F10F2ALDH1A1LMNANPC1

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