SCHEMBL8561968

SCHEMBL8561968

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K3 P46734 2/20 0.49
LCK P06239 1/20 0.49
MAP2K6 P52564 1/20 0.49
BTK Q06187 1/20 0.49
MAP3K19 Q56UN5 1/20 0.49
NEK10 Q6ZWH5 1/20 0.49
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
KDM4E B2RXH2 4/20 0.41
HSD17B10 Q99714 3/20 0.41
GLA P06280 3/20 0.41
HPGD P15428 2/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CHRM2 P08172 1/20 0.41
ADRA2A P08913 1/20 0.41
CHRM1 P11229 1/20 0.41
NQO2 P16083 1/20 0.41

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 0.90 MAPT (0.49) MAP2K3LCKMAP2K6BTKMAP3K19
SCHEMBL8565819 0.87 HSD17B10 (0.49) MAP2K3LCKMAP2K6BTKMAP3K19
SCHEMBL8567818 0.82 HPGD (0.40) SMN1; SMN2KDM4EGLAHPGDCYP3A4
SCHEMBL8560902 0.82 ADORA3 (0.38) ALDH1A1SMN1; SMN2KDM4EHSD17B10GLA
SCHEMBL8560819 0.80 HPGD (0.53) KDM4EHPGDCYP3A4MAPTGAA
SCHEMBL8567685 0.80 S100A4 (0.46) ALDH1A1SMN1; SMN2KDM4EHSD17B10GLA
SCHEMBL8564301 0.80 KDM4E (0.47) ALDH1A1SMN1; SMN2KDM4EHSD17B10GLA
SCHEMBL8567633 0.79 ALDH1A1 (0.46) ALDH1A1KDM4EHSD17B10HPGDCASP1
SCHEMBL8600621 0.79 LMNA (0.41) ALDH1A1SMN1; SMN2KDM4EHSD17B10GLA
SCHEMBL8561932 0.78 KDM4E (0.46) ALDH1A1SMN1; SMN2KDM4EHSD17B10GLA

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