SCHEMBL8560780

SCHEMBL8560780

O=C(NCc1ccccc1)c1c([N+](=O)[O-])cnc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
HPGD P15428 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
KDM4E B2RXH2 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NSD2 O96028 1/20 0.50
HTT P42858 2/20 0.49
HPGDS O60760 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TSHR P16473 1/20 0.46
CDK2 P24941 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
DYRK1A Q13627 1/20 0.46
HIPK4 Q8NE63 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46

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
SCHEMBL8600334 0.83 ALDH1A1 (0.47) GAAHPGDCYP1A2KDM4EL3MBTL1
SCHEMBL8568264 0.82 POLB (0.41) GAAHPGDCYP1A2HTTTSHR
SCHEMBL8569505 0.81 POLB (0.47) CYP1A2L3MBTL1HTTMEN1KMT2A
SCHEMBL8595814 0.81 KMT2A (0.46) GAAHPGDKDM4EL3MBTL1HTT
SCHEMBL8566078 0.79 PIN1 (0.45) GAAKDM4EL3MBTL1HTTMEN1
SCHEMBL8562721 0.78 KMT2A (0.55) HPGDHTTMEN1KMT2ATSHR
SCHEMBL20447980 0.77 GRM5 (0.48) GAAHPGDCYP2C19HTTMEN1
SCHEMBL8560474 0.77 POLB (0.46) CYP1A2HTTMEN1KMT2ATSHR
SCHEMBL8568499 0.77 POLB (0.46) CYP1A2HTTMEN1KMT2ATSHR
SCHEMBL8562632 0.77 L3MBTL1 (0.52) GAAHPGDCYP1A2CYP3A4CYP2C19

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