SCHEMBL4456795

SCHEMBL4456795

COc1cccc(NC(=O)Cn2cnc3cccc([N+](=O)[O-])c32)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.55
PKM P14618 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
ALDH1A1 P00352 4/20 0.52
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
NPC1 O15118 2/20 0.50
JAK2 O60674 1/20 0.48
MAPT P10636 4/20 0.48
LMNA P02545 1/20 0.48
RAB9A P51151 1/20 0.48
POLB P06746 1/20 0.48
NCOA1 Q15788 1/20 0.48
NCOA3 Q9Y6Q9 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL3039696 0.93 SMN1; SMN2 (0.51) SMN1; SMN2PKML3MBTL1ALDH1A1MEN1
SCHEMBL3039800 0.91 SMN1; SMN2 (0.54) SMN1; SMN2PKML3MBTL1ALDH1A1MEN1
SCHEMBL4974115 0.91 SMN1; SMN2 (0.52) SMN1; SMN2PKML3MBTL1ALDH1A1MEN1
SCHEMBL3038427 0.90 SMN1; SMN2 (0.49) SMN1; SMN2PKML3MBTL1ALDH1A1MEN1
SCHEMBL3035054 0.89 SMN1; SMN2 (0.56) SMN1; SMN2PKML3MBTL1ALDH1A1MEN1
SCHEMBL3043039 0.89 SMN1; SMN2 (0.53) SMN1; SMN2PKML3MBTL1ALDH1A1MEN1
SCHEMBL4976891 0.88 SMN1; SMN2 (0.46) SMN1; SMN2PKML3MBTL1ALDH1A1MEN1
SCHEMBL3039687 0.88 SMN1; SMN2 (0.52) SMN1; SMN2PKML3MBTL1ALDH1A1MEN1
SCHEMBL3048622 0.87 POLB (0.62) SMN1; SMN2PKML3MBTL1ALDH1A1MEN1
SCHEMBL4977070 0.87 SMN1; SMN2 (0.50) SMN1; SMN2PKML3MBTL1ALDH1A1MEN1

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-2042490-A2 Benzimidazole derivatives as vanilloid receptor antagonists AstraZeneca AB (SE) 2009-04-01 EP disclosed
EP-1626964-B1 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2009-01-21 EP disclosed
CN-1784387-A Novel benzimidazole derivatives ASTRAZENECA AB (SE) 2006-06-07 CN disclosed