SCHEMBL12879744

SCHEMBL12879744

CN1C(=O)NC(NC(=O)OCc2ccccc2)C1=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
NAAA Q02083 2/20 0.45
TSHR P16473 1/20 0.45
PREP P48147 2/20 0.45
ADORA1 P30542 1/20 0.45
ADORA2B P29275 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CPB1 P15086 1/20 0.44

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
SCHEMBL4697243 0.85 SCN9A (0.50) ALDH1A1GAA
SCHEMBL7196152 0.81 ALDH1A1 (0.41) MEN1KMT2AALDH1A1GAANAAA
SCHEMBL7196147 0.80 ALDH1A1 (0.39) MEN1KMT2AALDH1A1GAANAAA
SCHEMBL7807134 0.76 GAA (0.44) ALDH1A1GAANAAATSHRPREP
SCHEMBL7807139 0.76 GAA (0.44) ALDH1A1GAANAAATSHRPREP
SCHEMBL9541279 0.76 ALDH1A1 (0.52) ALDH1A1GAANAAATSHRCPB1
SCHEMBL12345121 0.75 NAAA (0.50) ALDH1A1GAANAAATSHRPREP
SCHEMBL13017770 0.75 NAAA (0.50) ALDH1A1GAANAAATSHRPREP
SCHEMBL28513970 0.74 ALDH1A1 (0.52) MEN1KMT2AALDH1A1GAANAAA
SCHEMBL7811138 0.73 ALDH1A1 (0.45) MEN1KMT2AALDH1A1GAANAAA

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
US-7893096-B2 For example, N-methyl-4-[(2-{[2-(1-methylethyl)phenyl]amino}-1 H-benzimidazol-5-yl)oxy]pyridine-2-carboxamide; administering the compounds alone or in combination with another agent for the treatment of cancer, infectious diseases and/or allergies/asthma NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-02-22 US disclosed
US-7893096-B2 For example, N-methyl-4-[(2-{[2-(1-methylethyl)phenyl]amino}-1 H-benzimidazol-5-yl)oxy]pyridine-2-carboxamide; administering the compounds alone or in combination with another agent for the treatment of cancer, infectious diseases and/or allergies/asthma NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-02-22 US disclosed