SCHEMBL8568405

SCHEMBL8568405

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.52
TP53 P04637 1/20 0.52
PDE10A Q9Y233 2/20 0.41
MAPT P10636 4/20 0.40
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 1/20 0.40
MGMT P16455 1/20 0.39
CYP3A4 P08684 1/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 2/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
PSMD14 O00487 1/20 0.38
PRKACA P17612 1/20 0.38
CASP6 P55212 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
SCHEMBL8568375 0.88 PDE10A (0.46) HSD17B10TP53PDE10AMAPTKMT2A
SCHEMBL8559921 0.87 IKBKB (0.42) HSD17B10TP53PDE10AMAPTKMT2A
SCHEMBL8567636 0.83 HSD17B10 (0.56) HSD17B10TP53PDE10AMAPTKMT2A
SCHEMBL8564023 0.81 MAPT (0.44) MAPTKMT2AKDM4EMGMTLMNA
SCHEMBL8562130 0.81 MAPT (0.40) HSD17B10TP53MAPTKMT2AKDM4E
SCHEMBL8596872 0.80 TLR8 (0.42) HSD17B10MAPTKMT2AKDM4ELMNA
SCHEMBL8567950 0.80 CYP3A4 (0.47) HSD17B10TP53MAPTKMT2AKDM4E
SCHEMBL8568442 0.79 KDM4E (0.52) TP53MAPTKMT2AKDM4ELMNA
SCHEMBL8567514 0.79 S100A4 (0.54) HSD17B10MAPTKMT2AKDM4EMGMT
SCHEMBL8562456 0.79 CYP3A4 (0.43) HSD17B10MAPTKMT2AKDM4EMGMT

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