SCHEMBL8562802

SCHEMBL8562802

O=[N+]([O-])c1ncccc1SCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
GSTP1 P09211 1/20 0.49
GSTM2 P28161 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 6/20 0.46
MAPT P10636 4/20 0.46
LMNA P02545 3/20 0.46
CYP2C9 P11712 2/20 0.46
POLB P06746 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 2/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL15616677 0.84 ALDH1A1 (0.51) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL8565267 0.81 MEN1 (0.50) MEN1KMT2AGSTP1GSTM2HSD17B10
SCHEMBL30068290 0.78 KMT2A (0.47) MEN1KMT2AGSTP1GSTM2HSD17B10
SCHEMBL8561788 0.77 ALDH1A1 (0.47) MEN1KMT2AGSTP1GSTM2HSD17B10
SCHEMBL26917011 0.77 MEN1 (0.46) MEN1KMT2AGSTP1GSTM2HSD17B10
SCHEMBL29858070 0.77 MEN1 (0.46) MEN1KMT2AGSTP1GSTM2HSD17B10
SCHEMBL15616481 0.77 PDE5A (0.42) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL1137437 0.77 MAPT (0.43) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL7116983 0.76 KMT2A (0.50) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL1329600 0.76 MEN1 (0.56) MEN1KMT2AGSTP1GSTM2ALDH1A1

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