SCHEMBL6016892

SCHEMBL6016892

O=C(O)COC(=O)c1ccc2nc[nH]c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.57
RAB9A P51151 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
HPGD P15428 1/20 0.57
CTNNB1 P35222 2/20 0.57
WNT3A P56704 2/20 0.57
HDAC6 Q9UBN7 1/20 0.55
KMT2A Q03164 4/20 0.49
ATM Q13315 2/20 0.49
POLB P06746 4/20 0.47
NPC1 O15118 2/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
CASP6 P55212 2/20 0.46
ALPL P05186 1/20 0.46
ALPI P09923 1/20 0.46

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
SCHEMBL6016890 0.89 CTNNB1 (0.44) HTTRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL1965011 0.84 KMT2A (0.65) HTTRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL30447626 0.84 KMT2A (0.65) HTTRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL6017092 0.83 HDAC6 (0.55) HTTRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL31265619 0.81 HDAC6 (0.52) HTTRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL29729203 0.81 HDAC6 (0.56) HTTRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL9178141 0.80 LMNA (0.52) HTTRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL31317898 0.80 LMNA (0.52) HTTRAB9ASMN1; SMN2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL3625265 0.80 HDAC6 (0.51) HTTRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL1379300 0.79 KMT2A (0.65) HTTRAB9ASMN1; SMN2KDM4EALDH1A1

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