SCHEMBL28314985

SCHEMBL28314985

CC(=O)Nc1ccc([C]=O)c([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 8/20 0.51
MAPK1 P28482 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 4/20 0.50
GAA P10253 3/20 0.49
KMT2A Q03164 4/20 0.49
LMNA P02545 3/20 0.49
MEN1 O00255 3/20 0.49
POLB P06746 2/20 0.49
ALDH3A1 P30838 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PKM P14618 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 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
SCHEMBL16943213 0.87 HTT (0.61) HTTSMN1; SMN2MAPTMAPK1TDP1
SCHEMBL11526803 0.82 HTT (0.71) HTTSMN1; SMN2MAPTMAPK1TDP1
SCHEMBL2935107 0.81 HTT (0.69) HTTSMN1; SMN2MAPTMAPK1TDP1
SCHEMBL7600834 0.80 ALDH1A1 (0.72) HTTSMN1; SMN2MAPTMAPK1TDP1
SCHEMBL3801985 0.80 HTT (0.68) HTTSMN1; SMN2MAPTMAPK1TDP1
SCHEMBL30483195 0.80 ALDH1A1 (0.72) HTTSMN1; SMN2MAPTMAPK1TDP1
SCHEMBL12426042 0.80 HTT (0.82) HTTSMN1; SMN2MAPTMAPK1TDP1
SCHEMBL29674877 0.78 HTT (0.66) HTTSMN1; SMN2MAPTMAPK1TDP1
SCHEMBL3911774 0.78 HTT (0.66) HTTSMN1; SMN2MAPTMAPK1TDP1
SCHEMBL584346 0.78 ALDH1A1 (0.73) HTTSMN1; SMN2MAPTMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107673976-B The Novel synthesis technology of 2- amino -4- acetamido methyl phenyl ethers anisole 安徽奥瑞化工有限公司 2019-09-20 CN disclosed
CN-107673976-A The Novel synthesis technology of the acetamido methyl phenyl ethers anisole of 2 amino 4 安徽奥瑞化工有限公司 2018-02-09 CN disclosed