SCHEMBL6017043

SCHEMBL6017043

CC(C)N1CCC(c2sc(C(=O)N3CCCOCC3)c3nc(C(=O)O)n(CC(=O)Nc4ccc(Cl)cn4)c23)CC1C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.35
F2 P00734 1/20 0.35
WNT1 P04628 3/20 0.34
GSK3B P49841 3/20 0.34
DYRK1A Q13627 3/20 0.34
MOK Q9UQ07 2/20 0.33
FPR1 P21462 1/20 0.32
FPR2 P25090 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TRPV4 Q9HBA0 1/20 0.31
AVPR1A P37288 1/20 0.30
POLB P06746 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
SCHEMBL6016990 0.87 F10 (0.36) F10F2WNT1GSK3BDYRK1A
SCHEMBL6017044 0.77 F10 (0.45) F10F2WNT1GSK3BDYRK1A
SCHEMBL3370026 0.75 ALDH1A1 (0.39) F10F2MOKALDH1A1MEN1
SCHEMBL6016885 0.75 F10 (0.38) F10F2ALDH1A1POLB
SCHEMBL6017047 0.74 F10 (0.39) F10F2ALDH1A1NPSR1POLB
SCHEMBL6016952 0.73 F10 (0.46) F10F2ALDH1A1NPSR1POLB
SCHEMBL3371009 0.71 MOK (0.44) F10F2MOKALDH1A1MEN1
SCHEMBL1383480 0.71 F10 (0.55) F10F2
SCHEMBL6016992 0.71 F10 (0.46) F10F2MOKKMT2A
SCHEMBL6016870 0.71 F10 (0.39) F10F2ALDH1A1POLB

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