SCHEMBL11028650

SCHEMBL11028650

C=C(C)C(=O)OCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
MAOB P27338 2/20 0.40
MAOA P21397 1/20 0.40
MAPT P10636 3/20 0.40
ALOX5 P09917 2/20 0.40
PDE7A Q13946 1/20 0.39
PDE3A Q14432 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL10377296 0.88 GLO1 (0.39) HTTMAOBMAOAMAPTPDE7A
SCHEMBL8555675 0.87 GLO1 (0.38) HTTMAOBMAOAMAPTPDE7A
SCHEMBL1130104 0.85 MAOB (0.57) HTTMAOBMAOAMAPTMEN1
SCHEMBL11027638 0.85 THRB (0.42) HTTMAOBMAOAMAPTALOX5
SCHEMBL5445040 0.84 MAOB (0.54) HTTMAOBMAOAMAPTSMN1; SMN2
SCHEMBL13586901 0.83 ALDH1A1 (0.47) HTTMAOBMAOAMAPTALOX5
SCHEMBL11024327 0.82 TSHR (0.43) HTTMAOBMAOAALOX5PKM
SCHEMBL11025869 0.82 ALDH1A1 (0.37) HTTMAPTMEN1LMNAKMT2A
SCHEMBL11029734 0.82 KMT2A (0.42) HTTMAPTMEN1LMNAKMT2A
SCHEMBL22750859 0.79 ALDH1A1 (0.47) HTTMAPTALOX5MEN1KMT2A

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 4 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 claimed
EP-0067954-A2 Organic photoconductive compositions for electrophotography KABUSHIKI KAISHA TOSHIBA (JP) 1982-12-29 EP claimed
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