SCHEMBL8569930

SCHEMBL8569930

Nc1cncc(S)c1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
USP2 O75604 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
ALDH1A1 P00352 6/20 0.34
MAPT P10636 6/20 0.34
HPGD P15428 2/20 0.34
LMNA P02545 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
XBP1 P17861 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TLR9 Q9NR96 1/20 0.34
ALOX15 P16050 2/20 0.33
GSK3B P49841 1/20 0.33
HASPIN Q8TF76 1/20 0.33
CLK1 P49759 1/20 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
SCHEMBL8566844 0.85 MEN1 (0.40) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL8565256 0.78 MAPT (0.41) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL8562112 0.78 GAA (0.41) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL17555458 0.76 ALDH1A1 (0.36) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL8560493 0.76 ALDH1A1 (0.38) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL8566551 0.72 ALDH1A1 (0.46) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL8563757 0.72 ALDH1A1 (0.40) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL8564427 0.72 ALDH1A1 (0.38) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL8568327 0.72 MEN1 (0.39) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL8562846 0.72 XDH (0.39) MEN1KMT2AUSP2KEAP1NFE2L2

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