SCHEMBL10015973

SCHEMBL10015973

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
TGM2 P21980 2/20 0.41
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP19A1 P11511 1/20 0.38
RAB9A P51151 3/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
PDE7A Q13946 1/20 0.38
PDE3A Q14432 1/20 0.38
ALOX5 P09917 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL11027208 0.88 TSHR (0.44) MAPTTGM2SMN1; SMN2CYP3A4CYP19A1
SCHEMBL11031650 0.85 TSHR (0.46) MAPTSMN1; SMN2CYP3A4ALDH1A1ALOX5
SCHEMBL11028508 0.85 MAPT (0.61) MAPTHTTRAB9ARXFP1ALDH1A1
SCHEMBL8571160 0.84 IDO1 (0.53) MAPTTGM2HTTSMN1; SMN2RAB9A
SCHEMBL11024867 0.81 MAPT (0.35) MAPTTGM2CYP3A4ALDH1A1
SCHEMBL11021352 0.81 ALDH1A1 (0.40) MAPTHTTSMN1; SMN2CYP3A4RAB9A
SCHEMBL10033580 0.81 HCAR2 (0.55) MAPTHTTSMN1; SMN2CYP3A4RAB9A
SCHEMBL31512966 0.81 MAPT (0.52) MAPTHTTSMN1; SMN2RAB9AALDH1A1
SCHEMBL21913948 0.80 TSHR (0.46) TGM2SMN1; SMN2CYP3A4ALDH1A1
SCHEMBL30284453 0.79 MAPT (0.46) MAPTHTTSMN1; SMN2CYP3A4RAB9A

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 7 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
WO-2012005266-A1 LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME 日産化学工業株式会社 (JP) 2012-01-12 WO disclosed
US-4595745-A Polycondensation product of aromatic dicarboxylic acid component comprising acids and acid halides with organic diamine comprising diamino chalcone and ester or ether containing diamine and nonphotocrosslinkable diamine UBE INDUSTRIES, LTD. (JP) 1986-06-17 US disclosed
US-4558117-A Organic solvent-soluble photosensitive polyimide resin UBE INDUSTRIES, LTD. (JP) 1985-12-10 US disclosed
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