SCHEMBL6017092

SCHEMBL6017092

O=C(OCCO)c1ccc2nc[nH]c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.55
HTT P42858 3/20 0.54
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
CTNNB1 P35222 2/20 0.53
WNT3A P56704 2/20 0.53
KMT2A Q03164 4/20 0.49
ATM Q13315 2/20 0.49
POLB P06746 5/20 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
TDP1 Q9NUW8 1/20 0.46
CASP6 P55212 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL6017091 0.89 HDAC6 (0.41) HDAC6HTTRAB9ASMN1; SMN2KDM4E
SCHEMBL29729203 0.86 HDAC6 (0.56) HDAC6HTTRAB9ASMN1; SMN2KDM4E
SCHEMBL9178141 0.85 LMNA (0.52) HDAC6HTTRAB9ASMN1; SMN2KDM4E
SCHEMBL31317898 0.85 LMNA (0.52) HDAC6HTTRAB9ASMN1; SMN2KDM4E
SCHEMBL1965011 0.84 KMT2A (0.65) HDAC6HTTRAB9ASMN1; SMN2KDM4E
SCHEMBL30447626 0.84 KMT2A (0.65) HDAC6HTTRAB9ASMN1; SMN2KDM4E
SCHEMBL27799228 0.84 ATM (0.51) HDAC6HTTRAB9ASMN1; SMN2KDM4E
SCHEMBL6016892 0.83 HTT (0.57) HDAC6HTTRAB9ASMN1; SMN2KDM4E
SCHEMBL31499307 0.83 RAB9A (0.52) HDAC6HTTRAB9ASMN1; SMN2KDM4E
SCHEMBL31265619 0.81 HDAC6 (0.52) HDAC6HTTRAB9ASMN1; SMN2KDM4E

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