SCHEMBL6016952

SCHEMBL6016952

COCCOc1c(C2CCN(C(C)C)C(C(N)=O)C2)ccc2c1nc(C(=O)O)n2CC(=O)Nc1ccc(Cl)cn1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.46
F2 P00734 1/20 0.41
ALDH1A1 P00352 1/20 0.34
IDO1 P14902 1/20 0.33
LMNA P02545 2/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
DEGS1 O15121 1/20 0.31
MAPT P10636 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
SCHEMBL6016870 0.92 F10 (0.39) F10F2ALDH1A1IDO1POLB
SCHEMBL6016885 0.84 F10 (0.38) F10F2ALDH1A1IDO1LMNA
SCHEMBL6017047 0.80 F10 (0.39) F10F2ALDH1A1IDO1POLB
SCHEMBL6257006 0.78 F10 (0.44) F10F2ALDH1A1LMNAPOLB
SCHEMBL6016990 0.78 F10 (0.36) F10F2ALDH1A1POLBNPSR1
SCHEMBL6016954 0.77 F10 (0.55) F10F2ALDH1A1
SCHEMBL3371312 0.75 F10 (0.45) F10F2ALDH1A1LMNAL3MBTL1
SCHEMBL6017043 0.73 F10 (0.35) F10F2ALDH1A1POLBNPSR1
SCHEMBL3371014 0.71 F10 (0.42) F10F2ALDH1A1LMNAL3MBTL1
SCHEMBL1380548 0.71 F10 (0.65) 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