SCHEMBL4967103

SCHEMBL4967103

O=[N+]([O-])c1c[c]ccc1NCCN1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.47
MAPT P10636 6/20 0.43
HDAC1 Q13547 1/20 0.43
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
ALDH1A1 P00352 2/20 0.41
PIK3CA P42336 1/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RAB9A P51151 1/20 0.39

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
SCHEMBL17599752 0.89 HTT (0.44) MAPTPOLBPKMALDH1A1KDM4E
SCHEMBL5550215 0.81 KAT2B (0.55) HRH3MAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL5968104 0.80 HRH3 (0.43) HRH3MAPTALDH1A1GAASMN1; SMN2
SCHEMBL16690122 0.80 KAT2B (0.56) HRH3MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL8640471 0.76 ALDH1A1 (0.51) MAPTPOLBPKMALDH1A1LMNA
SCHEMBL6232184 0.76 MAPT (0.68) HRH3MAPTHDAC1POLBPKM
SCHEMBL6201353 0.75 MEN1 (0.42) HRH3POLBRAB9A
SCHEMBL2326316 0.75 PKM (0.61) HRH3MAPTHDAC1POLBPKM
SCHEMBL14960166 0.74 KAT2B (0.53) HRH3MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL9725427 0.74 MEN1 (0.59) HRH3MAPTPOLBPKMALDH1A1

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-1670770-B1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEROF AND USES THEREOF ASTRAZENECA AB (SE) 2008-08-20 EP disclosed
EP-1670770-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEROF AND USES THEREOF AstraZeneca AB (SE) 2006-06-21 EP disclosed
WO-2005030733-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEROF AND USES THEREOF ASTRAZENECA AB (SE) 2005-04-07 WO disclosed