SCHEMBL8565819

SCHEMBL8565819

CC(=O)c1nc2ccccc2c([N+](=O)[O-])c1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.49
TP53 P04637 2/20 0.49
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 6/20 0.40
CASP1 P29466 3/20 0.40
CASP7 P55210 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 3/20 0.40
GLA P06280 2/20 0.40
CHRM2 P08172 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CHRM1 P11229 1/20 0.40
NQO2 P16083 1/20 0.40
MAOA P21397 1/20 0.40
DRD1 P21728 1/20 0.40
ACHE P22303 1/20 0.40
SLC6A2 P23975 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRM1 P35372 1/20 0.40

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
SCHEMBL8563341 0.88 MAPT (0.49) HSD17B10TP53ALDH1A1KDM4ECASP1
SCHEMBL8561968 0.87 MAP2K3 (0.49) HSD17B10TP53ALDH1A1KDM4ECASP1
SCHEMBL8567818 0.81 HPGD (0.40) KDM4ESMN1; SMN2HPGDGLACYP3A4
SCHEMBL8560902 0.81 ADORA3 (0.38) HSD17B10TP53ALDH1A1KDM4ECASP1
SCHEMBL8600621 0.80 LMNA (0.41) HSD17B10ALDH1A1KDM4ECASP1CASP7
SCHEMBL8560819 0.79 HPGD (0.53) KDM4EHPGDCYP3A4MAPTCYP1A2
SCHEMBL8567685 0.79 S100A4 (0.46) HSD17B10TP53ALDH1A1KDM4ECASP1
SCHEMBL8564301 0.79 KDM4E (0.47) HSD17B10TP53ALDH1A1KDM4ECASP1
SCHEMBL8567633 0.78 ALDH1A1 (0.46) HSD17B10ALDH1A1KDM4ECASP1CASP7
SCHEMBL8601327 0.77 MAPT (0.45) HSD17B10TP53ALDH1A1KDM4ESMN1; 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