SCHEMBL11023294

SCHEMBL11023294

C=CC(=O)OC(CC)c1cc([N+](=O)[O-])c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
ALDH1A1 P00352 3/20 0.52
TDP1 Q9NUW8 2/20 0.39
HTT P42858 1/20 0.34
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
POLB P06746 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MAPK1 P28482 1/20 0.33
STAT3 P40763 1/20 0.33
HCAR3 P49019 2/20 0.33
HPGD P15428 2/20 0.33
GALR2 O43603 1/20 0.33
MITF O75030 1/20 0.33
HSP90AA1 P07900 1/20 0.33
XBP1 P17861 1/20 0.33
CCR6 P51684 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.32

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
SCHEMBL11025901 0.85 ALDH1A1 (0.46) LMNAALDH1A1TDP1MAPTSMN1; SMN2
SCHEMBL11029168 0.85 ALDH1A1 (0.46) LMNAALDH1A1TDP1MAPTSMN1; SMN2
SCHEMBL11025932 0.83 ALDH1A1 (0.48) LMNAALDH1A1TDP1HTTMAPT
SCHEMBL11022930 0.82 PDK1 (0.37) LMNAALDH1A1TDP1MAPTPOLB
SCHEMBL11023688 0.82 ALDH1A1 (0.39) LMNAALDH1A1TDP1HTTMAPT
SCHEMBL11021380 0.81 TDP1 (0.48) LMNAALDH1A1TDP1HTTMAPT
SCHEMBL11025662 0.81 ALDH1A1 (0.55) LMNAALDH1A1TDP1HTTMAPT
SCHEMBL11029704 0.81 ALDH1A1 (0.41) LMNAALDH1A1TDP1MAPTSMN1; SMN2
SCHEMBL11023151 0.80 ALDH1A1 (0.40) LMNAALDH1A1TDP1HTTMAPT
SCHEMBL11023283 0.80 TDP1 (0.46) LMNAALDH1A1TDP1HTTMAPT

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