SCHEMBL8624593

SCHEMBL8624593

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.35
ATM Q13315 1/20 0.34
KDM4E B2RXH2 3/20 0.32
GLA P06280 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
ACHE P22303 2/20 0.32
CASP1 P29466 2/20 0.32
CASP7 P55210 2/20 0.32
HSD17B10 Q99714 2/20 0.32
CHRM2 P08172 1/20 0.32
ADRA2A P08913 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CHRM1 P11229 1/20 0.32
NQO2 P16083 1/20 0.32
MAOA P21397 1/20 0.32
DRD1 P21728 1/20 0.32
SLC6A2 P23975 1/20 0.32

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
SCHEMBL8925738 0.84 GSK3A (0.39) MAPTATMSMN1; SMN2HPGDSETDB1
SCHEMBL8922116 0.84 MGMT (0.39) MAPTKDM4EGLASMN1; SMN2TDP1
SCHEMBL8598811 0.82 KMT2A (0.40) MAPTKDM4EGLASMN1; SMN2TDP1
SCHEMBL8926837 0.80 LMNA (0.38) MAPTATMKDM4EGLASMN1; SMN2
SCHEMBL8625911 0.80 MAPT (0.35) MAPTATMKDM4EGLASMN1; SMN2
SCHEMBL8596283 0.80 MEN1 (0.37) MAPTKDM4EGLASMN1; SMN2TDP1
SCHEMBL8598530 0.80 KDM4E (0.37) MAPTKDM4EGLASMN1; SMN2TDP1
SCHEMBL8562352 0.78 KDM4E (0.41) MAPTKDM4EGLASMN1; SMN2TDP1
SCHEMBL8628610 0.77 POLB (0.38) MAPTATMSMN1; SMN2ALDH1A1POLB
SCHEMBL8566049 0.76 KDM4E (0.40) MAPTKDM4EGLASMN1; SMN2TDP1

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