SCHEMBL8561302

SCHEMBL8561302

Nc1c(S(=O)(=O)O)ccnc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 3/20 0.41
KDM4E B2RXH2 2/20 0.36
TTR P02766 1/20 0.35
NSD2 O96028 1/20 0.35
GAA P10253 1/20 0.35
PLCG1 P19174 1/20 0.35
DNMT1 P26358 1/20 0.35
CASP6 P55212 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 4/20 0.33
TSHR P16473 2/20 0.33
CYP2C19 P33261 1/20 0.33
CYP1A2 P05177 1/20 0.33
ALOX15 P16050 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 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
SCHEMBL8565961 0.85 CA2 (0.39) NT5EALDH1A1CYP2C19CYP1A2CA12
SCHEMBL8560999 0.77 HTT (0.41) NT5EKDM4ENSD2GAAPLCG1
SCHEMBL8602563 0.76 ALDH1A1 (0.42) KDM4EL3MBTL1ALDH1A1
SCHEMBL8564974 0.76 ALDH1A1 (0.44) KDM4EGAACASP6ALDH1A1CYP1A2
SCHEMBL3709618 0.75 GAA (0.39) KDM4EGAACASP6L3MBTL1ALDH1A1
SCHEMBL8562148 0.75 ALDH1A1 (0.48) KDM4EALDH1A1TSHRCYP2C19CYP1A2
SCHEMBL8141010 0.74 HTT (0.37) ALDH1A1TSHRALOX15ROCK1POLB
SCHEMBL8596152 0.74 RECQL (0.43) KDM4EL3MBTL1ALDH1A1TSHRCYP2C19
SCHEMBL8628187 0.74 CA12 (0.35) CA12CA1CA2CA9CA7
SCHEMBL8596657 0.74 TXNRD1 (0.43) KDM4EGAAL3MBTL1ALDH1A1CYP2C19

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 2 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