SCHEMBL11029704

SCHEMBL11029704

C=CC(=O)OC(CC)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.32
GAA P10253 2/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
TSHR P16473 1/20 0.31
GPR35 Q9HC97 1/20 0.31
HCAR3 P49019 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
PSMD14 O00487 1/20 0.31
BLM P54132 1/20 0.31
KDM4E B2RXH2 1/20 0.31
THRB P10828 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
SCHEMBL11027007 0.89 ALDH1A1 (0.40) ALDH1A1LMNATDP1MAPTRAB9A
SCHEMBL11026434 0.86 ALDH1A1 (0.37) ALDH1A1LMNATDP1MAPTHPGD
SCHEMBL11025303 0.83 PDK1 (0.35) ALDH1A1LMNATDP1MAPTHPGD
SCHEMBL11021342 0.82 ALDH1A1 (0.44) ALDH1A1LMNATDP1MAPTHPGD
SCHEMBL11025932 0.82 ALDH1A1 (0.48) ALDH1A1LMNATDP1MAPTRAB9A
SCHEMBL11029168 0.81 ALDH1A1 (0.46) ALDH1A1LMNATDP1MAPTHPGD
SCHEMBL11025901 0.81 ALDH1A1 (0.46) ALDH1A1LMNATDP1MAPTGAA
SCHEMBL11023294 0.81 LMNA (0.52) ALDH1A1LMNATDP1MAPTHPGD
SCHEMBL11021380 0.81 TDP1 (0.48) ALDH1A1LMNATDP1MAPTHPGD
SCHEMBL11023151 0.80 ALDH1A1 (0.40) ALDH1A1LMNATDP1MAPTHPGD

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