SCHEMBL8561932

SCHEMBL8561932

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
GLA P06280 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 2/20 0.46
CASP1 P29466 2/20 0.46
CASP7 P55210 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
CHRM2 P08172 1/20 0.46
ADRA2A P08913 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CHRM1 P11229 1/20 0.46
NQO2 P16083 1/20 0.46
MAOA P21397 1/20 0.46
DRD1 P21728 1/20 0.46
ACHE P22303 1/20 0.46
SLC6A2 P23975 1/20 0.46
ADRA1A P35348 1/20 0.46
OPRM1 P35372 1/20 0.46

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 0.86 KDM4E (0.53) KDM4EGLASMN1; SMN2ALDH1A1HPGD
SCHEMBL8564301 0.85 KDM4E (0.47) KDM4EGLASMN1; SMN2ALDH1A1HPGD
SCHEMBL28528656 0.84 CYP3A4 (0.48) KDM4EGLASMN1; SMN2ALDH1A1TDP1
SCHEMBL8567685 0.82 S100A4 (0.46) KDM4EGLASMN1; SMN2ALDH1A1HPGD
SCHEMBL8565807 0.82 KDM4E (0.44) KDM4EGLASMN1; SMN2ALDH1A1HPGD
SCHEMBL8568682 0.82 S100A4 (0.46) KDM4EGLASMN1; SMN2ALDH1A1HPGD
SCHEMBL8560976 0.82 ALDH1A1 (0.44) KDM4EGLASMN1; SMN2ALDH1A1HPGD
SCHEMBL20291524 0.80 CYP3A4 (0.61) KDM4EGLASMN1; SMN2ALDH1A1HPGD
SCHEMBL8567241 0.80 PDE10A (0.46) KDM4EGLASMN1; SMN2ALDH1A1HPGD
SCHEMBL8563341 0.80 MAPT (0.49) KDM4EGLASMN1; SMN2ALDH1A1HPGD

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