SCHEMBL28200099

SCHEMBL28200099

NNC(=O)C(=O)Oc1cccc([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.53
HGFAC Q04756 1/20 0.51
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 3/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.45
DDX3X O00571 1/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
TP53 P04637 1/20 0.44
ALOX5 P09917 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL7929197 0.86 F2 (0.63) F2HGFACALDH1A1MAPTTSHR
SCHEMBL28200212 0.81 GAA (0.53) HGFACALDH1A1MAPTGAATSHR
SCHEMBL29709134 0.80 MEN1 (0.63) F2HGFACALDH1A1MAPTTSHR
SCHEMBL148916 0.80 MEN1 (0.63) F2HGFACALDH1A1MAPTTSHR
SCHEMBL2955782 0.79 F2 (0.63) F2HGFACALDH1A1MAPTTSHR
SCHEMBL27977368 0.78 HGFAC (0.50) F2HGFACALDH1A1MAPTTSHR
SCHEMBL11195246 0.78 F2 (0.61) F2HGFACALDH1A1MAPTKDM4E
SCHEMBL4894369 0.78 F2 (0.55) F2HGFACALDH1A1MAPTTSHR
SCHEMBL16764355 0.77 F2 (0.57) F2HGFACALDH1A1MAPTTSHR
SCHEMBL3291500 0.76 F2 (0.60) F2HGFACALDH1A1MAPTTSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107663161-A A kind of continuous stream synthesis technique of phenylhydrazine salt and substituted benzene hydrazonium salt 上海惠和化德生物科技有限公司 2018-02-06 CN disclosed