SCHEMBL3267559

SCHEMBL3267559

O=C(O)NNc1ccccc1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.69
ALDH1A1 P00352 8/20 0.69
MAPT P10636 7/20 0.69
POLB P06746 3/20 0.69
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
TDP1 Q9NUW8 3/20 0.56
MAPK1 P28482 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
CASP7 P55210 1/20 0.56
RAB9A P51151 3/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
LMNA P02545 1/20 0.55
XBP1 P17861 1/20 0.55
HTT P42858 1/20 0.55
KDM4E B2RXH2 1/20 0.55
PKM P14618 1/20 0.54

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
SCHEMBL20984065 0.87 GAA (0.67) GAAALDH1A1MAPTPOLBMEN1
SCHEMBL11207257 0.84 ALDH1A1 (0.63) GAAALDH1A1MAPTPOLBMEN1
SCHEMBL10433483 0.83 ALDH1A1 (0.63) GAAALDH1A1MAPTPOLBMEN1
SCHEMBL175272 0.81 MEN1 (0.71) GAAALDH1A1MAPTPOLBMEN1
SCHEMBL113558 0.81 MEN1 (0.71) GAAALDH1A1MAPTPOLBMEN1
SCHEMBL12188090 0.81 ALDH1A1 (0.59) GAAALDH1A1MAPTPOLBMEN1
SCHEMBL2951524 0.80 ALDH1A1 (0.58) GAAALDH1A1MAPTPOLBMEN1
SCHEMBL2937028 0.79 ALDH1A1 (0.68) GAAALDH1A1MAPTPOLBMEN1
SCHEMBL7573420 0.79 ALDH1A1 (0.59) GAAALDH1A1MAPTPOLBMEN1
SCHEMBL28888390 0.78 ALDH1A1 (0.70) GAAALDH1A1MAPTPOLBMEN1

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-2193123-A1 NOVEL BENZIMIDAZOL-2-YL-ALKYLAMINES AND THE USE THEREOF AS MICROBICIDAL AGENTS EMC microcollections GmbH (DE) 2010-06-09 EP disclosed
WO-2009019014-A1 NOVEL BENZIMIDAZOL-2-YL-ALKYLAMINES AND THE USE THEREOF AS MICROBICIDAL AGENTS EMC MICROCOLLECTIONS GMBH (DE) 2009-02-12 WO disclosed