SCHEMBL8564523

SCHEMBL8564523

Nc1c([N+](=O)[O-])nc2ccccc2c1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
ALDH1A1 P00352 5/20 0.53
GLA P06280 4/20 0.53
HSD17B10 Q99714 4/20 0.53
ACHE P22303 3/20 0.53
HPGD P15428 2/20 0.53
CASP1 P29466 2/20 0.53
CASP7 P55210 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
CHRM2 P08172 2/20 0.53
ADRA2A P08913 2/20 0.53
ADORA3 P0DMS8 2/20 0.53
CHRM1 P11229 2/20 0.53
SLC6A2 P23975 2/20 0.53
OPRM1 P35372 2/20 0.53
KCNH2 Q12809 2/20 0.53
NQO2 P16083 1/20 0.53
MAOA P21397 1/20 0.53
DRD1 P21728 1/20 0.53

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
SCHEMBL8561932 0.86 KDM4E (0.46) KDM4ESMN1; SMN2ALDH1A1GLAHSD17B10
SCHEMBL8560976 0.85 ALDH1A1 (0.44) KDM4ESMN1; SMN2ALDH1A1GLAHSD17B10
SCHEMBL8568682 0.85 S100A4 (0.46) KDM4ESMN1; SMN2ALDH1A1GLAHSD17B10
SCHEMBL8567241 0.82 PDE10A (0.46) KDM4ESMN1; SMN2ALDH1A1GLAHSD17B10
SCHEMBL8563112 0.81 HSD17B10 (0.43) KDM4ESMN1; SMN2ALDH1A1GLAHSD17B10
SCHEMBL8566788 0.81 KDM4E (0.41) KDM4ESMN1; SMN2ALDH1A1GLAHSD17B10
SCHEMBL8570788 0.81 BACE1 (0.42) KDM4ESMN1; SMN2ALDH1A1GLAHSD17B10
SCHEMBL8562352 0.81 KDM4E (0.41) KDM4ESMN1; SMN2ALDH1A1GLAHSD17B10
SCHEMBL8559235 0.81 KDM4E (0.41) KDM4ESMN1; SMN2ALDH1A1GLAHSD17B10
SCHEMBL8559702 0.81 ALDH1A1 (0.53) KDM4ESMN1; SMN2ALDH1A1GLAHSD17B10

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