SCHEMBL8560848

SCHEMBL8560848

Nc1nc2ccccc2c(C2=NCCO2)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
MAPT P10636 6/20 0.37
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MGMT P16455 1/20 0.35
ELANE P08246 1/20 0.35
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
CYP3A4 P08684 1/20 0.34
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
BLM P54132 1/20 0.33
CDK5 Q00535 1/20 0.33
ATM Q13315 1/20 0.33
CDK5R1 Q15078 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL8563739 0.83 KMT2A (0.36) ALDH1A1MAPTKMT2AMEN1L3MBTL1
SCHEMBL8568519 0.81 LMNA (0.36) ALDH1A1MAPTKMT2AMEN1L3MBTL1
SCHEMBL8562399 0.75 POLB (0.43) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL8567950 0.74 CYP3A4 (0.47) ALDH1A1MAPTKMT2AMEN1RAB9A
SCHEMBL8567837 0.73 KMT2A (0.40) ALDH1A1MAPTKMT2AMEN1L3MBTL1
SCHEMBL8564976 0.72 SMN1; SMN2 (0.39) ALDH1A1MAPTKMT2AMEN1L3MBTL1
SCHEMBL3953291 0.72 KDM4E (0.52) ALDH1A1MAPTKMT2AMEN1RAB9A
SCHEMBL12518927 0.70 MAOA (0.48) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL8562456 0.70 CYP3A4 (0.43) ALDH1A1MAPTKMT2AMEN1RAB9A
SCHEMBL8567514 0.70 S100A4 (0.54) ALDH1A1MAPTKMT2AMEN1RAB9A

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