SCHEMBL8563511

SCHEMBL8563511

Nc1ccnc(C2CCNCC2)c1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RECQL P46063 1/20 0.33
USP2 O75604 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
PRKACA P17612 1/20 0.32
PRKACG P22612 1/20 0.32
PRKACB P22694 1/20 0.32
HRH4 Q9H3N8 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
SCHEMBL28232725 0.90 MEN1 (0.37) MAPTMEN1KMT2AUSP2KEAP1
SCHEMBL28232714 0.85 CDK2 (0.40) MAPTMEN1KMT2AUSP2KEAP1
SCHEMBL4142576 0.78 MKNK1 (0.42) MKNK1MKNK2HRH3MAPTMEN1
SCHEMBL8562692 0.77 HTT (0.40) MKNK1MKNK2PIM1PIM3PIM2
SCHEMBL31302371 0.76 NPC1 (0.34) MAPTALDH1A1CDK2CCNA2CCNA1
SCHEMBL18397997 0.75 MEN1 (0.35) MAPTMEN1KMT2AUSP2KEAP1
SCHEMBL8561865 0.74 MAPT (0.44) MAPTMEN1KMT2AALDH1A1PKM
SCHEMBL8560628 0.74 MEN1 (0.35) MAPTMEN1KMT2AUSP2KEAP1
SCHEMBL8562626 0.71 HTR6 (0.36) MKNK1MKNK2HRH3
SCHEMBL28156283 0.71 PIM1 (0.40) MKNK1MKNK2PIM1PIM3PIM2

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