SCHEMBL5131245

SCHEMBL5131245

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.59
SMN1; SMN2 Q16637 4/20 0.57
RAB9A P51151 4/20 0.57
HTT P42858 3/20 0.57
KDM4E B2RXH2 3/20 0.57
ALDH1A1 P00352 2/20 0.57
HPGD P15428 1/20 0.57
CTNNB1 P35222 1/20 0.54
WNT3A P56704 1/20 0.54
POLB P06746 4/20 0.50
KMT2A Q03164 4/20 0.50
PRKCI P41743 1/20 0.49
AR P10275 1/20 0.48
HDAC3 O15379 1/20 0.48
NPC1 O15118 3/20 0.48
MAPT P10636 3/20 0.47
RAD52 P43351 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
CASP6 P55212 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47

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
SCHEMBL5131241 0.88 HDAC6 (0.44) HDAC6SMN1; SMN2RAB9AHTTKDM4E
SCHEMBL476587 0.83 HDAC6 (0.66) HDAC6SMN1; SMN2RAB9AHTTKDM4E
SCHEMBL31025406 0.83 HDAC6 (0.66) HDAC6SMN1; SMN2RAB9AHTTKDM4E
Hydrochloric Acid SCHEMBL4541627 0.82 HDAC6 (0.64) HDAC6SMN1; SMN2RAB9AHTTKDM4E
SCHEMBL8600387 0.81 HDAC6 (0.58) HDAC6SMN1; SMN2RAB9AHTTKDM4E
SCHEMBL5946 0.78 RAB9A (0.71) HDAC6SMN1; SMN2RAB9AHTTKDM4E
Methylamine SCHEMBL3153881 0.78 RAB9A (0.65) HDAC6SMN1; SMN2RAB9AHTTKDM4E
SCHEMBL10467024 0.78 HDAC6 (0.62) HDAC6SMN1; SMN2RAB9AHTTKDM4E
SCHEMBL1232537 0.77 HDAC6 (0.57) HDAC6SMN1; SMN2RAB9AHTTKDM4E
SCHEMBL5777206 0.77 HDAC6 (0.66) HDAC6SMN1; SMN2RAB9AHTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673349-A4 BENZIMIDAZOLE DERIVATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S BIO PTE LTD (SG) 2008-01-23 EP disclosed
EP-1673349-A1 BENZIMIDAZOLE DERIVATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*Bio Pte Ltd (SG) 2006-06-28 EP disclosed
WO-2005028447-A1 BENZIMIDAZOLE DERIVATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*BIO PTE LTD (SG) 2005-03-31 WO disclosed