SCHEMBL11023151

SCHEMBL11023151

C=CC(=O)OC(CC)c1cc([N+](=O)[O-])c([N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 3/20 0.39
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 4/20 0.33
MAPK1 P28482 2/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 1/20 0.33
HCAR3 P49019 2/20 0.32
POLB P06746 1/20 0.32
PDK1 Q15118 1/20 0.32
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL11023688 0.86 ALDH1A1 (0.39) ALDH1A1LMNATDP1HTTMEN1
SCHEMBL11031648 0.84 TDP1 (0.40) ALDH1A1LMNATDP1HTTMEN1
SCHEMBL11021380 0.83 TDP1 (0.48) ALDH1A1LMNATDP1HTTMEN1
SCHEMBL11028236 0.82 HCAR2 (0.34) ALDH1A1TDP1HTTMEN1KMT2A
SCHEMBL11023116 0.82 ALDH1A1 (0.43) ALDH1A1LMNATDP1HTTMEN1
SCHEMBL11026434 0.81 ALDH1A1 (0.37) ALDH1A1LMNATDP1HTTMEN1
SCHEMBL11023294 0.80 LMNA (0.52) ALDH1A1LMNATDP1HTTMEN1
SCHEMBL11029704 0.80 ALDH1A1 (0.41) ALDH1A1LMNATDP1MEN1KMT2A
SCHEMBL11023283 0.79 TDP1 (0.46) ALDH1A1LMNATDP1HTTMEN1
SCHEMBL11027007 0.79 ALDH1A1 (0.40) ALDH1A1LMNATDP1MEN1KMT2A

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-0067954-B1 ORGANIC PHOTOCONDUCTIVE COMPOSITIONS FOR ELECTROPHOTOGRAPHY KABUSHIKI KAISHA TOSHIBA (JP) 1985-08-28 EP disclosed
EP-0067954-A2 Organic photoconductive compositions for electrophotography KABUSHIKI KAISHA TOSHIBA (JP) 1982-12-29 EP disclosed