SCHEMBL6016885

SCHEMBL6016885

CC(C)N1CCC(c2ccc3c(nc(C(=O)O)n3CC(=O)Nc3ccc(Cl)cn3)c2C(=O)N2C(C)CCCC2C)CC1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.38
F2 P00734 1/20 0.38
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
IDO1 P14902 1/20 0.32
POLB P06746 2/20 0.31
LMNA P02545 2/20 0.30
GAA P10253 1/20 0.30
BRD4 O60885 1/20 0.30
CCL2 P13500 1/20 0.30
DEGS1 O15121 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL6016952 0.84 F10 (0.46) F10F2ALDH1A1L3MBTL1IDO1
SCHEMBL6016870 0.80 F10 (0.39) F10F2ALDH1A1IDO1POLB
SCHEMBL6017047 0.80 F10 (0.39) F10F2ALDH1A1IDO1POLB
SCHEMBL6016990 0.79 F10 (0.36) F10F2ALDH1A1POLBGAA
SCHEMBL3369950 0.78 F10 (0.43) F10F2ALDH1A1L3MBTL1POLB
SCHEMBL6016887 0.77 F10 (0.50) F10F2ALDH1A1L3MBTL1
SCHEMBL6017043 0.75 F10 (0.35) F10F2ALDH1A1POLB
SCHEMBL1382572 0.71 F10 (0.61) F10F2
SCHEMBL6257006 0.69 F10 (0.44) F10F2ALDH1A1L3MBTL1POLB
SCHEMBL6016954 0.66 F10 (0.55) F10F2ALDH1A1

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