SCHEMBL8563739

SCHEMBL8563739

Nc1c([N+](=O)[O-])nc2ccccc2c1C1=NCCO1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.36
MEN1 O00255 6/20 0.36
MAPT P10636 5/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ACHE P22303 2/20 0.35
ALDH1A1 P00352 6/20 0.34
SMN1; SMN2 Q16637 5/20 0.34
KDM4E B2RXH2 4/20 0.34
GLA P06280 4/20 0.34
TDP1 Q9NUW8 2/20 0.34
HPGD P15428 2/20 0.34
CASP1 P29466 2/20 0.34
CASP7 P55210 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CHRM2 P08172 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CHRM1 P11229 1/20 0.34
NQO2 P16083 1/20 0.34
MAOA P21397 1/20 0.34

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
SCHEMBL8560848 0.83 ALDH1A1 (0.38) KMT2AMEN1MAPTL3MBTL1ALDH1A1
SCHEMBL8568519 0.78 LMNA (0.36) KMT2AMEN1MAPTL3MBTL1ACHE
SCHEMBL8562399 0.75 POLB (0.43) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL8564523 0.74 KDM4E (0.53) KMT2AMEN1MAPTL3MBTL1ACHE
SCHEMBL8567837 0.73 KMT2A (0.40) KMT2AMEN1MAPTL3MBTL1ALDH1A1
SCHEMBL8564976 0.72 SMN1; SMN2 (0.39) KMT2AMEN1MAPTL3MBTL1ALDH1A1
SCHEMBL8561932 0.71 KDM4E (0.46) KMT2AMEN1MAPTL3MBTL1ACHE
SCHEMBL8560976 0.70 ALDH1A1 (0.44) KMT2AMEN1MAPTL3MBTL1ACHE
SCHEMBL8568682 0.70 S100A4 (0.46) KMT2AMEN1MAPTACHEALDH1A1
SCHEMBL8567241 0.68 PDE10A (0.46) KMT2AMEN1MAPTACHEALDH1A1

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