SCHEMBL11297092

SCHEMBL11297092

[CH2]CCc1c([N+](=O)[O-])cccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.50
GPR35 Q9HC97 2/20 0.48
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
S100A4 P26447 2/20 0.42
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
CYP1A2 P05177 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
HPGD P15428 1/20 0.39
PDE10A Q9Y233 1/20 0.39
PTPRC P08575 1/20 0.39

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
SCHEMBL27801663 0.87 TSHR (0.55) TDP1GPR35ALDH1A1KDM4ETSHR
SCHEMBL27780340 0.87 MAPT (0.43) TDP1GPR35ALDH1A1KDM4ETSHR
SCHEMBL27780320 0.87 ALDH1A1 (0.52) TDP1GPR35ALDH1A1KDM4ETSHR
SCHEMBL5781293 0.83 TDP1 (0.54) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL8730292 0.81 TDP1 (0.43) TDP1GPR35ALDH1A1KDM4ETSHR
SCHEMBL1802353 0.79 ALDH1A1 (0.62) TDP1ALDH1A1TSHRSMN1; SMN2HSD17B10
SCHEMBL7159890 0.79 GPR35 (0.54) TDP1GPR35ALDH1A1KDM4ETSHR
SCHEMBL17319424 0.79 TDP1 (0.54) TDP1GPR35ALDH1A1KDM4ETSHR
SCHEMBL6118566 0.79 TDP1 (0.50) TDP1GPR35ALDH1A1KDM4ETSHR
SCHEMBL5248139 0.78 TDP1 (0.58) TDP1GPR35ALDH1A1TSHRSMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

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