SCHEMBL8563341

SCHEMBL8563341

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
KDM4E B2RXH2 4/20 0.42
HSD17B10 Q99714 3/20 0.42
GLA P06280 3/20 0.42
HPGD P15428 2/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
CHRM2 P08172 1/20 0.42
ADRA2A P08913 1/20 0.42
CHRM1 P11229 1/20 0.42
NQO2 P16083 1/20 0.42
MAOA P21397 1/20 0.42
DRD1 P21728 1/20 0.42
ACHE P22303 1/20 0.42
SLC6A2 P23975 1/20 0.42
ADRA1A P35348 1/20 0.42

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
SCHEMBL8561968 0.90 MAP2K3 (0.49) MAPTALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL8565819 0.88 HSD17B10 (0.49) MAPTALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL8567818 0.84 HPGD (0.40) MAPTSMN1; SMN2KDM4EGLAHPGD
SCHEMBL8560902 0.83 ADORA3 (0.38) MAPTALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL8560819 0.82 HPGD (0.53) MAPTKDM4EHPGDCYP3A4GAA
SCHEMBL8567685 0.81 S100A4 (0.46) MAPTALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL8564301 0.81 KDM4E (0.47) MAPTALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL8567633 0.81 ALDH1A1 (0.46) MAPTALDH1A1KDM4EHSD17B10HPGD
SCHEMBL8600621 0.80 LMNA (0.41) MAPTALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL8561932 0.80 KDM4E (0.46) MAPTALDH1A1SMN1; SMN2KDM4EHSD17B10

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