SCHEMBL8566546

SCHEMBL8566546

C=C(c1ccccc1)c1ncccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 7/20 0.45
MAPT P10636 5/20 0.45
PDE10A Q9Y233 1/20 0.45
POLB P06746 1/20 0.44
NPC1 O15118 2/20 0.43
KDM4E B2RXH2 2/20 0.42
ASPH Q12797 1/20 0.42
KDM8 Q8N371 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.41
CTSB P07858 1/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41

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
SCHEMBL29823981 0.79 PDE10A (0.49) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL1232905 0.78 KDM4E (0.54) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL305884 0.76 PDE10A (0.53) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL8561727 0.75 KMT2A (0.42) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL7751508 0.75 PDE10A (0.45) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL8565828 0.75 MAPT (0.39) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL3381186 0.73 ALDH1A1 (0.51) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL8565503 0.73 PDE10A (0.50) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL6448689 0.73 PDE10A (0.50) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL28228342 0.73 PDE10A (0.50) MEN1KMT2ARAB9AALDH1A1MAPT

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-0735025-B1 Process for producing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1998-07-01 EP disclosed
US-5648496-A AMINATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-15 US disclosed
CN-1138033-A Process for produducing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1996-12-18 CN disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed