SCHEMBL6016867

SCHEMBL6016867

O=C(O)COC(=O)c1cccc2nc[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CLEC4M Q9H2X3 1/20 0.40
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 6/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ATM Q13315 1/20 0.37
MEN1 O00255 4/20 0.36
HTT P42858 1/20 0.35
ALOX15 P16050 1/20 0.34
PAM P19021 1/20 0.34
PARP1 P09874 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL4081935 0.84 CLEC4M (0.57) CLEC4MCYP1A2KMT2AALDH1A1KDM4E
SCHEMBL1382500 0.81 TSHR (0.56) CLEC4MKMT2AALDH1A1KDM4EHPGD
SCHEMBL11789735 0.80 TSHR (0.57) CLEC4MCYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL6016899 0.80 CHRNB2 (0.39) CLEC4M
SCHEMBL536590 0.79 KDM4E (0.46) KMT2AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL453513 0.78 KEAP1 (0.49) KMT2AALDH1A1KDM4EHTTALOX15
Potassium SCHEMBL29729324 0.78 KDM4E (0.45) KMT2AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6016863 0.77 PARP1 (0.57) PARP1
Hydrochloric Acid SCHEMBL22165595 0.77 KEAP1 (0.47) KMT2AALDH1A1KDM4EHTTALOX15
SCHEMBL5990597 0.77 KEAP1 (0.47) KMT2AALDH1A1KDM4EHTTALOX15

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