SCHEMBL8565973

SCHEMBL8565973

C=C(c1ccccc1)c1c(N)c([N+](=O)[O-])nc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
GLA P06280 4/20 0.38
HSD17B10 Q99714 3/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 2/20 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
ADORA3 P0DMS8 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

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
SCHEMBL8567241 0.83 PDE10A (0.46) KDM4EGLAHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL8563112 0.82 HSD17B10 (0.43) KDM4EGLAHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL8562130 0.81 MAPT (0.40) KDM4EGLAHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL8567636 0.81 HSD17B10 (0.56) KDM4EGLAHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL8564523 0.78 KDM4E (0.53) KDM4EGLAHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL8568682 0.77 S100A4 (0.46) KDM4EGLAHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL8570921 0.76 NPC1 (0.40) KDM4EGLAHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL8560902 0.76 ADORA3 (0.38) KDM4EGLAHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL8561932 0.75 KDM4E (0.46) KDM4EGLAHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL8562632 0.74 L3MBTL1 (0.52) KDM4EALDH1A1TP53HPGDRAB9A

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