SCHEMBL6017044

SCHEMBL6017044

CC(C)N1CCC(N)CC1.O=C(Cn1c(C(=O)O)nc2c(C(=O)N3CCCOCC3)scc21)Nc1ccc(Cl)cn1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.45
F2 P00734 4/20 0.45
MOK Q9UQ07 2/20 0.35
TRPV4 Q9HBA0 1/20 0.34
ALDH1A1 P00352 2/20 0.33
WNT1 P04628 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL3370026 0.91 ALDH1A1 (0.39) F10F2MOKTRPV4ALDH1A1
SCHEMBL1383480 0.90 F10 (0.55) F10F2
SCHEMBL6016992 0.85 F10 (0.46) F10F2MOKKMT2A
SCHEMBL3372792 0.84 F10 (0.49) F10F2
SCHEMBL1378476 0.78 F10 (0.62) F10F2
SCHEMBL1380230 0.78 F10 (0.58) F10F2
SCHEMBL6017043 0.77 F10 (0.35) F10F2MOKTRPV4ALDH1A1
SCHEMBL3371009 0.77 MOK (0.44) F10F2MOKTRPV4ALDH1A1
SCHEMBL6016990 0.76 F10 (0.36) F10F2MOKTRPV4ALDH1A1
SCHEMBL6016887 0.76 F10 (0.50) F10F2ALDH1A1NPSR1

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