SCHEMBL8600910

SCHEMBL8600910

CCCCCS(=O)(=O)c1cncc(N)c1[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
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GSTP1 P09211 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 2/20 0.32
NPY1R P25929 1/20 0.32
LMNA P02545 1/20 0.32
VCAM1 P19320 1/20 0.32
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31
XBP1 P17861 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL8626079 0.82 CA2 (0.37) TXNRD1MAPTHPGDCA2
SCHEMBL8596230 0.81 RECQL (0.41) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL8601831 0.75 KDM4E (0.34) ALDH1A1CA2
SCHEMBL8600998 0.75 TXNRD1 (0.43) TXNRD1GSRALOX5APFEN1MEN1
SCHEMBL8568327 0.75 MEN1 (0.39) MEN1KMT2AALDH1A1NPY1RUSP2
SCHEMBL8601231 0.74 L3MBTL1 (0.35) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL8600265 0.74 TXNRD1 (0.51) TXNRD1GSRMEN1KMT2AALDH1A1
SCHEMBL8565246 0.73 NSD2 (0.39) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL8562255 0.73 ALDH1A1 (0.51) TXNRD1GSRALDH1A1MAPTSMN1; SMN2
SCHEMBL8596253 0.72 CYP19A1 (0.40) MEN1KMT2AALDH1A1GAAMAPT

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