SCHEMBL8561208

SCHEMBL8561208

Nc1c(Cc2ccccc2)nc2ccccc2c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 3/20 0.43
GLA P06280 2/20 0.43
CASP1 P29466 2/20 0.43
CASP7 P55210 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CHRM2 P08172 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CHRM1 P11229 1/20 0.43
NQO2 P16083 1/20 0.43
MAOA P21397 1/20 0.43
DRD1 P21728 1/20 0.43
ACHE P22303 1/20 0.43
SLC6A2 P23975 1/20 0.43
ADRA1A P35348 1/20 0.43
OPRM1 P35372 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL8567677 0.84 KMT2A (0.50) HPGDKDM4EALDH1A1HSD17B10GLA
SCHEMBL8598680 0.81 MAPT (0.38) HPGDKDM4EALDH1A1HSD17B10GLA
SCHEMBL787604 0.80 KDM4E (0.57) HPGDKDM4EALDH1A1HSD17B10GLA
SCHEMBL8565807 0.79 KDM4E (0.44) HPGDKDM4EALDH1A1HSD17B10GLA
SCHEMBL8600372 0.79 LMNA (0.48) HPGDKDM4EALDH1A1HSD17B10GLA
SCHEMBL8566973 0.79 POLB (0.43) HPGDKDM4EALDH1A1HSD17B10GLA
SCHEMBL8564301 0.79 KDM4E (0.47) HPGDKDM4EALDH1A1HSD17B10GLA
SCHEMBL28321846 0.78 SMN1; SMN2 (0.45) HPGDKDM4EALDH1A1HSD17B10GLA
SCHEMBL27196616 0.78 MAPT (0.49) HPGDALDH1A1SMN1; SMN2KMT2AMAPT
SCHEMBL8150367 0.78 MGMT (0.41) HPGDKDM4EALDH1A1HSD17B10KMT2A

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