SCHEMBL8560902

SCHEMBL8560902

C=C(c1ccccc1)c1nc2ccccc2c([N+](=O)[O-])c1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.38
KDM4E B2RXH2 5/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
GLA P06280 4/20 0.38
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 3/20 0.38
HPGD P15428 2/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
CHRM2 P08172 1/20 0.38
ADRA2A P08913 1/20 0.38
CHRM1 P11229 1/20 0.38
NQO2 P16083 1/20 0.38
MAOA P21397 1/20 0.38
DRD1 P21728 1/20 0.38
ACHE P22303 1/20 0.38
SLC6A2 P23975 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRM1 P35372 1/20 0.38

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 0.83 MAPT (0.49) ADORA3KDM4ESMN1; SMN2GLAALDH1A1
SCHEMBL8561968 0.82 MAP2K3 (0.49) ADORA3KDM4ESMN1; SMN2GLAALDH1A1
SCHEMBL8565819 0.81 HSD17B10 (0.49) ADORA3KDM4ESMN1; SMN2GLAALDH1A1
SCHEMBL8562130 0.78 MAPT (0.40) KDM4ESMN1; SMN2GLAALDH1A1HSD17B10
SCHEMBL8567685 0.77 S100A4 (0.46) ADORA3KDM4ESMN1; SMN2GLAALDH1A1
SCHEMBL8565807 0.77 KDM4E (0.44) ADORA3KDM4ESMN1; SMN2GLAALDH1A1
SCHEMBL8567818 0.76 HPGD (0.40) KDM4ESMN1; SMN2GLAHPGDCYP3A4
SCHEMBL8564301 0.76 KDM4E (0.47) ADORA3KDM4ESMN1; SMN2GLAALDH1A1
SCHEMBL8565973 0.76 KDM4E (0.38) ADORA3KDM4ESMN1; SMN2GLAALDH1A1
SCHEMBL8561932 0.75 KDM4E (0.46) ADORA3KDM4ESMN1; SMN2GLAALDH1A1

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