SCHEMBL8565140

SCHEMBL8565140

Nc1cncc(C(=O)NCc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.55
HPGD P15428 5/20 0.50
NSD2 O96028 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
GAA P10253 2/20 0.48
POLB P06746 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
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
SMN1; SMN2 Q16637 2/20 0.45
USP2 O75604 1/20 0.45
SIRT6 Q8N6T7 1/20 0.45

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
SCHEMBL8568707 0.81 CES2 (0.39) HTTPOLBSMN1; SMN2LMNAALDH1A1
SCHEMBL8567201 0.78 HTT (0.73) HTTHPGDCYP1A2CYP3A4CYP2C19
SCHEMBL8565798 0.78 RAB9A (0.55) CYP3A4POLBKMT2ALMNAL3MBTL1
SCHEMBL8568952 0.78 HTT (0.52) HTTHPGDNSD2CYP1A2CYP3A4
SCHEMBL8603015 0.77 ATG4B (0.43) HTTHPGDCYP1A2CYP3A4CYP2C19
SCHEMBL6940724 0.76 MEN1 (0.61) HPGDNSD2CYP1A2CYP3A4CYP2C19
SCHEMBL8566312 0.76 MAPT (0.53) HTTHPGDCYP1A2CYP3A4CYP2C19
SCHEMBL30236290 0.76 KMT2A (0.75) HTTHPGDCYP1A2CYP3A4CYP2C19
SCHEMBL19246188 0.76 KMT2A (0.75) HTTHPGDCYP1A2CYP3A4CYP2C19
SCHEMBL8565008 0.75 HPGD (0.54) HTTHPGDNSD2CYP1A2CYP3A4

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