SCHEMBL8596090

SCHEMBL8596090

CCCCCS(=O)(=O)c1cc(N)cnc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 4/20 0.41
GSR P00390 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
MAPT P10636 3/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
BLM P54132 1/20 0.36
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
XBP1 P17861 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
VCAM1 P19320 1/20 0.33
POLB P06746 2/20 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
SCHEMBL8634277 0.82 CYP19A1 (0.37) L3MBTL1MAPTBLMHPGDCYP19A1
SCHEMBL8601240 0.81 RECQL (0.40) L3MBTL1MAPTKMT2AHTTLMNA
SCHEMBL8596657 0.76 TXNRD1 (0.43) TXNRD1GSRL3MBTL1ALOX5APFEN1
SCHEMBL8598914 0.76 TXNRD1 (0.46) TXNRD1GSRL3MBTL1ALOX5APFEN1
SCHEMBL8598745 0.76 TXNRD1 (0.45) TXNRD1GSRALOX5APFEN1MAPT
SCHEMBL8596306 0.76 KDM4E (0.36) MAPTKMT2AHTTLMNABLM
SCHEMBL8567243 0.75 CA2 (0.38) L3MBTL1MAPTALDH1A1HPGDVCAM1
SCHEMBL8602297 0.75 L3MBTL1 (0.40) L3MBTL1MAPTKMT2AHTTALDH1A1
SCHEMBL8560405 0.74 NT5E (0.43) L3MBTL1MAPTKMT2AHTTLMNA
SCHEMBL8596671 0.74 SMN1; SMN2 (0.41) L3MBTL1MAPTKMT2ALMNAALDH1A1

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