SCHEMBL8563863

SCHEMBL8563863

Nc1c([N+](=O)[O-])nc2ccccc2c1C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
KMT2A Q03164 5/20 0.51
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 7/20 0.44
MAPT P10636 5/20 0.44
GAA P10253 3/20 0.44
LMNA P02545 3/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 2/20 0.43
USP2 O75604 1/20 0.43
PKM P14618 1/20 0.43
CASP1 P29466 1/20 0.43
HTT P42858 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GLA P06280 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL8563794 0.83 MGMT (0.50) ALDH1A1KMT2ARAB9AKDM4EMAPT
SCHEMBL8598930 0.82 ALDH1A1 (0.47) ALDH1A1KMT2ARAB9AKDM4EMAPT
SCHEMBL8570921 0.81 NPC1 (0.40) ALDH1A1KMT2ARAB9AKDM4EMAPT
SCHEMBL8567241 0.81 PDE10A (0.46) ALDH1A1KMT2ARAB9AKDM4EMAPT
SCHEMBL8562632 0.80 L3MBTL1 (0.52) ALDH1A1KMT2ARAB9AKDM4EGAA
SCHEMBL8563112 0.79 HSD17B10 (0.43) ALDH1A1KMT2ARAB9AKDM4EMAPT
SCHEMBL18118665 0.79 KMT2A (0.56) ALDH1A1KMT2ARAB9AKDM4EMAPT
SCHEMBL8567633 0.79 ALDH1A1 (0.46) ALDH1A1KMT2ARAB9AKDM4EMAPT
SCHEMBL8567636 0.78 HSD17B10 (0.56) ALDH1A1KMT2ARAB9AKDM4EMAPT
SCHEMBL8567582 0.78 MGMT (0.48) ALDH1A1KMT2ARAB9AMAPTLMNA

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