SCHEMBL8568499

SCHEMBL8568499

CC(=O)c1c([N+](=O)[O-])cnc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TP53 P04637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
ABCG2 Q9UNQ0 2/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.39
CTSB P07858 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
SCHEMBL8569505 0.86 POLB (0.47) POLBMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8560474 0.85 POLB (0.46) POLBMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8568264 0.79 POLB (0.41) POLBALDH1A1SMN1; SMN2ABCG2HTT
SCHEMBL8599819 0.79 PLA2G2A (0.44) POLBMEN1KMT2AALDH1A1HTT
SCHEMBL8562154 0.78 POLB (0.43) POLBMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1033969 0.78 POLB (0.51) POLBMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4727431 0.78 POLB (0.51) POLBMEN1KMT2AHSD17B10ALDH1A1
SCHEMBL8560780 0.77 GAA (0.54) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL8566078 0.76 PIN1 (0.45) POLBMEN1KMT2AALDH1A1HTT
SCHEMBL8597779 0.76 ESR1 (0.48) POLBTP53HSD17B10ALDH1A1SMN1; 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 3 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
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed