SCHEMBL6017050

SCHEMBL6017050

CC(C)N1CCC(N)CC1.O=C(Cn1c(C(=O)O)nc2ccc(C(=O)N3CC(O)C3)cc21)Nc1ccc(Cl)cn1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.49
F2 P00734 2/20 0.49
ACSS2 Q9NR19 1/20 0.39
CCNK O75909 1/20 0.36
CDK12 Q9NYV4 1/20 0.36
ALDH1A1 P00352 1/20 0.35
PADI4 Q9UM07 1/20 0.35
MCHR1 Q99705 1/20 0.35
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34

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
SCHEMBL3369990 0.90 ACSS2 (0.45) F10F2ACSS2CCNKCDK12
SCHEMBL3373231 0.83 F10 (0.42) F10F2ACSS2CCNKCDK12
SCHEMBL1379542 0.83 F10 (0.60) F10F2
SCHEMBL6016992 0.83 F10 (0.46) F10F2PADI4CCNT1CDK9
SCHEMBL3368978 0.83 F10 (0.54) F10F2ACSS2CCNKCDK12
SCHEMBL1377971 0.81 F10 (0.65) F10F2
SCHEMBL1653789 0.78 F10 (0.73) F10F2
SCHEMBL3798321 0.78 F10 (0.48) F10ALDH1A1
SCHEMBL3369704 0.77 F10 (0.54) F10F2CCNKCDK12
SCHEMBL1379145 0.77 F10 (0.63) F10F2

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