SCHEMBL8560405

SCHEMBL8560405

Nc1cnc([N+](=O)[O-])c(S(=O)(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 3/20 0.43
L3MBTL1 Q9Y468 4/20 0.38
GAA P10253 3/20 0.38
CASP6 P55212 3/20 0.38
NSD2 O96028 2/20 0.38
PLCG1 P19174 1/20 0.38
DNMT1 P26358 1/20 0.38
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 7/20 0.36
TDP1 Q9NUW8 3/20 0.36
HSD17B10 Q99714 2/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
RAPGEF4 Q8WZA2 1/20 0.34
TSHR P16473 2/20 0.33
CYP2C19 P33261 2/20 0.33
MAPT P10636 5/20 0.33
POLB P06746 2/20 0.33
RECQL P46063 2/20 0.33
APEX1 P27695 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
SCHEMBL8567243 0.85 CA2 (0.38) L3MBTL1ALDH1A1HSD17B10CYP2C19MAPT
SCHEMBL8566803 0.77 ALOX15 (0.44) L3MBTL1GAACASP6KDM4EALDH1A1
SCHEMBL8596306 0.76 KDM4E (0.36) NT5EKDM4EALDH1A1MAPTKMT2A
SCHEMBL8562235 0.74 TDP1 (0.48) L3MBTL1ALDH1A1TDP1HSD17B10TSHR
SCHEMBL8568828 0.74 TDP1 (0.48) L3MBTL1ALDH1A1TDP1HSD17B10TSHR
SCHEMBL8601240 0.74 RECQL (0.40) L3MBTL1KDM4EALDH1A1TDP1HSD17B10
SCHEMBL8562052 0.74 ALDH1A1 (0.50) ALDH1A1HSD17B10TSHRCYP2C19MAPT
SCHEMBL8626672 0.74 CA12 (0.33) CA12CA1CA2CA9
SCHEMBL8596090 0.74 TXNRD1 (0.41) L3MBTL1GAAALDH1A1MAPTPOLB
SCHEMBL8602041 0.73 KDM4E (0.38) KDM4ETDP1TSHRPOLBKMT2A

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