SCHEMBL8599537

SCHEMBL8599537

C=CCSc1cncc(N)c1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
TP53 P04637 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
XBP1 P17861 1/20 0.31
HTT P42858 1/20 0.31
TLR9 Q9NR96 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
SCHEMBL8599148 0.77 HASPIN (0.41) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL8568938 0.74 GSTP1 (0.49) KMT2ANPC1MAPTRAB9ASMN1; SMN2
SCHEMBL8598691 0.74 IMPDH2 (0.32) KMT2AMAPTMEN1USP2KEAP1
SCHEMBL8566844 0.73 MEN1 (0.40) KMT2ANPC1MAPTRAB9ASMN1; SMN2
SCHEMBL8601170 0.72 MAPT (0.38) KMT2ANPC1MAPTRAB9ASMN1; SMN2
SCHEMBL8596783 0.72 HTT (0.40) KMT2ANPC1MAPTRAB9ASMN1; SMN2
SCHEMBL8595244 0.72 KMT2A (0.39) KMT2ANPC1MAPTRAB9ASMN1; SMN2
SCHEMBL8597271 0.72 ALDH1A1 (0.34) MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL8597903 0.71 GSK3A (0.41) KMT2ANPC1MAPTRAB9ASMN1; SMN2
SCHEMBL8595123 0.70 EGFR (0.36) KMT2ANPC1MAPTRAB9ASMN1; SMN2

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