SCHEMBL8568682

SCHEMBL8568682

Nc1c([N+](=O)[O-])nc2ccccc2c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.46
SMN1; SMN2 Q16637 5/20 0.44
KDM4E B2RXH2 5/20 0.44
GLA P06280 4/20 0.44
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 3/20 0.44
HPGD P15428 2/20 0.44
CASP1 P29466 2/20 0.44
CASP7 P55210 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
CHRM2 P08172 1/20 0.44
ADRA2A P08913 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CHRM1 P11229 1/20 0.44
NQO2 P16083 1/20 0.44
MAOA P21397 1/20 0.44
DRD1 P21728 1/20 0.44
ACHE P22303 1/20 0.44
SLC6A2 P23975 1/20 0.44
ADRA1A P35348 1/20 0.44

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
SCHEMBL8564523 0.85 KDM4E (0.53) SMN1; SMN2KDM4EGLAALDH1A1HSD17B10
SCHEMBL8561932 0.82 KDM4E (0.46) S100A4SMN1; SMN2KDM4EGLAALDH1A1
SCHEMBL8567241 0.81 PDE10A (0.46) SMN1; SMN2KDM4EGLAALDH1A1HSD17B10
SCHEMBL8560976 0.81 ALDH1A1 (0.44) SMN1; SMN2KDM4EGLAALDH1A1HSD17B10
SCHEMBL8567514 0.81 S100A4 (0.54) S100A4SMN1; SMN2KDM4EGLAALDH1A1
SCHEMBL8563112 0.80 HSD17B10 (0.43) SMN1; SMN2KDM4EGLAALDH1A1HSD17B10
SCHEMBL8566049 0.79 KDM4E (0.40) S100A4SMN1; SMN2KDM4EGLAALDH1A1
SCHEMBL8567636 0.79 HSD17B10 (0.56) SMN1; SMN2KDM4EGLAALDH1A1HSD17B10
SCHEMBL8562352 0.77 KDM4E (0.41) SMN1; SMN2KDM4EGLAALDH1A1HSD17B10
SCHEMBL8559235 0.77 KDM4E (0.41) SMN1; SMN2KDM4EGLAALDH1A1HSD17B10

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