SCHEMBL8569903

SCHEMBL8569903

CC(=O)c1cncc(N)c1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 6/20 0.33
MAPT P10636 4/20 0.33
KDM4E B2RXH2 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
KMT2A Q03164 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
GAA P10253 3/20 0.33
ALOX15 P16050 2/20 0.33
MEN1 O00255 2/20 0.33
HPGD P15428 2/20 0.33
KDM6B O15054 1/20 0.33
KDM4A O75164 1/20 0.33
THRB P10828 1/20 0.33
KDM4D Q6B0I6 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
CYP3A4 P08684 1/20 0.33
GLA P06280 1/20 0.33
USP7 Q93009 2/20 0.33
USP47 Q96K76 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
SCHEMBL8563757 0.84 ALDH1A1 (0.40) ALDH1A1MAPTKDM4ETDP1KMT2A
SCHEMBL8566551 0.84 ALDH1A1 (0.46) MAPK1ALDH1A1MAPTKDM4ETDP1
SCHEMBL8566844 0.79 MEN1 (0.40) ALDH1A1MAPTTDP1KMT2AALOX15
SCHEMBL8562112 0.76 GAA (0.41) MAPK1ALDH1A1MAPTTDP1KMT2A
SCHEMBL2646463 0.74 ALDH1A1 (0.42) MAPK1ALDH1A1MAPTTDP1KMT2A
SCHEMBL12661517 0.74 KDM4E (0.39) MAPK1ALDH1A1MAPTKDM4ETDP1
SCHEMBL8599704 0.73 ALDH1A1 (0.50) MAPK1ALDH1A1MAPTKDM4ETDP1
SCHEMBL8597868 0.73 KDM4E (0.43) ALDH1A1KDM4EKMT2AL3MBTL1ALOX15
SCHEMBL8568707 0.73 CES2 (0.39) ALDH1A1MAPTPOLBHTTSMN1; SMN2
SCHEMBL8600107 0.72 KDM4E (0.36) ALDH1A1KDM4EHPGDCYP3A4HTT

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