SCHEMBL8599003

SCHEMBL8599003

C=CCNS(=O)(=O)c1nc2ccccc2c([N+](=O)[O-])c1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
MAPT P10636 5/20 0.36
KMT2A Q03164 6/20 0.35
MEN1 O00255 5/20 0.35
ATM Q13315 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
MAPK1 P28482 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GLA P06280 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL8568939 0.84 VCAM1 (0.46) ALDH1A1MAPTKMT2AMEN1ATM
SCHEMBL8603376 0.83 GSK3A (0.41) KDM4ERAB9AALDH1A1GSK3AGSK3B
SCHEMBL8595032 0.82 MAPT (0.40) KDM4ERAB9AALDH1A1GSK3AGSK3B
SCHEMBL8598398 0.80 CA12 (0.40) ALDH1A1MAPTKMT2AMEN1CYP1A2
SCHEMBL8599396 0.80 ESR1 (0.38) KDM4ERAB9AALDH1A1MAPTKMT2A
SCHEMBL8598530 0.80 KDM4E (0.37) KDM4ERAB9AALDH1A1GSK3AGSK3B
SCHEMBL8625911 0.80 MAPT (0.35) KDM4ERAB9AALDH1A1GSK3AGSK3B
SCHEMBL8597788 0.79 GSK3A (0.46) KDM4ERAB9AALDH1A1GSK3AGSK3B
SCHEMBL8562557 0.78 ALDH1A1 (0.41) KDM4ERAB9AALDH1A1MAPTKMT2A
SCHEMBL8562624 0.77 TXNRD1 (0.50) KDM4ERAB9AALDH1A1MAPTCYP1A2

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