SCHEMBL1382500

SCHEMBL1382500

COCCOC(=O)c1cccc2nc[nH]c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.56
KDM4E B2RXH2 4/20 0.42
HTT P42858 1/20 0.42
CLEC4M Q9H2X3 1/20 0.41
KMT2A Q03164 2/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 5/20 0.40
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
BRD4 O60885 3/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 3/20 0.37
GLA P06280 2/20 0.37
GAA P10253 2/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL11789735 0.85 TSHR (0.57) TSHRKDM4ECLEC4MALDH1A1TDP1
SCHEMBL4081935 0.85 CLEC4M (0.57) TSHRKDM4ECLEC4MKMT2AATM
SCHEMBL536590 0.83 KDM4E (0.46) TSHRKDM4EHTTKMT2AATM
Potassium SCHEMBL29729324 0.81 KDM4E (0.45) TSHRKDM4EHTTKMT2AATM
SCHEMBL6016867 0.81 CLEC4M (0.40) KDM4EHTTCLEC4MKMT2AATM
Acetic Acid SCHEMBL27464432 0.79 KDM4E (0.43) TSHRKDM4EHTTKMT2AATM
SCHEMBL1382494 0.78 TSHR (0.56) TSHRBRD4
SCHEMBL6016899 0.77 CHRNB2 (0.39) CLEC4M
SCHEMBL2646903 0.75 PARP1 (0.41) KDM4EHTTKMT2AALDH1A1TDP1
SCHEMBL29389335 0.74 TSHR (1.00) TSHRKDM4EKMT2AALDH1A1TDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4658940-B2 2011-03-23 JP claimed
JP-2006528213-A 2006-12-14 JP claimed
EP-1636216-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-03-22 EP claimed
WO-2004101553-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 WO claimed