SCHEMBL8559921

SCHEMBL8559921

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.42
POLB P06746 2/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 6/20 0.40
CYP3A4 P08684 1/20 0.40
TP53 P04637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MGMT P16455 1/20 0.40
S100A4 P26447 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
PSMD14 O00487 1/20 0.39
PRKACA P17612 1/20 0.39
CASP6 P55212 1/20 0.39
LCK P06239 1/20 0.39

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
SCHEMBL8568375 0.90 PDE10A (0.46) MAPTCYP3A4TP53HSD17B10MGMT
SCHEMBL8568405 0.87 HSD17B10 (0.52) POLBKDM4EMAPTCYP3A4TP53
SCHEMBL28188720 0.84 GRM2 (0.40) POLBKDM4ETDP1CTDSP1L3MBTL1
SCHEMBL28853752 0.84 GRM2 (0.41) POLBKDM4ETDP1CTDSP1L3MBTL1
SCHEMBL8564023 0.82 MAPT (0.44) POLBKDM4EMAPTMGMTMEN1
SCHEMBL8562130 0.82 MAPT (0.40) POLBKDM4ETDP1L3MBTL1MAPT
SCHEMBL8567950 0.81 CYP3A4 (0.47) POLBKDM4ETDP1MAPTCYP3A4
SCHEMBL8568442 0.80 KDM4E (0.52) POLBKDM4EL3MBTL1MAPTTP53
SCHEMBL8567514 0.80 S100A4 (0.54) POLBKDM4ETDP1MAPTCYP3A4
SCHEMBL8562456 0.80 CYP3A4 (0.43) POLBKDM4ETDP1MAPTCYP3A4

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