SCHEMBL6017047

SCHEMBL6017047

CC(C)N1CCC(c2cc(C(=O)N3CC(O)C3)cc3c2nc(C(=O)O)n3CC(=O)Nc2ccc(Cl)cn2)CC1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.39
F2 P00734 1/20 0.39
ALDH1A1 P00352 1/20 0.33
BRD4 O60885 1/20 0.32
CCL2 P13500 1/20 0.32
CCNK O75909 1/20 0.32
CDK12 Q9NYV4 1/20 0.32
IDO1 P14902 1/20 0.32
POLB P06746 1/20 0.31
TYRO3 Q06418 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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 0.80 F10 (0.46) F10F2ALDH1A1IDO1POLB
SCHEMBL6016885 0.80 F10 (0.38) F10F2ALDH1A1BRD4CCL2
SCHEMBL6016870 0.78 F10 (0.39) F10F2ALDH1A1IDO1POLB
SCHEMBL6017050 0.77 F10 (0.49) F10F2ALDH1A1CCNKCDK12
SCHEMBL6016990 0.76 F10 (0.36) F10F2ALDH1A1POLBNPSR1
SCHEMBL3369990 0.75 ACSS2 (0.45) F10F2ALDH1A1CCNKCDK12
SCHEMBL6017043 0.74 F10 (0.35) F10F2ALDH1A1POLBNPSR1
SCHEMBL3373231 0.73 F10 (0.42) F10F2ALDH1A1CCNKCDK12
SCHEMBL3369492 0.72 ALDH1A1 (0.43) F10F2ALDH1A1IDO1POLB
SCHEMBL6257006 0.69 F10 (0.44) F10F2ALDH1A1POLBTSHR

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