SCHEMBL28465253

SCHEMBL28465253

CS(=O)(=O)c1ccc(C(=O)C2(C(=O)c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])C(=O)CCCC2=O)c([N+](=O)[O-])c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 4/20 0.46
ALDH1A1 P00352 4/20 0.43
MAPT P10636 5/20 0.40
LMNA P02545 3/20 0.40
GAA P10253 1/20 0.40
HPD P32754 2/20 0.39
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
RAB9A P51151 2/20 0.37
HTT P42858 2/20 0.37
NPC1 O15118 1/20 0.37
MITF O75030 1/20 0.37
MAPK1 P28482 1/20 0.37
CCR6 P51684 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 1/20 0.36
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
TP53 P04637 1/20 0.36

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
Mesotrione SCHEMBL22116 0.80 HPD (0.62) ALDH3A1ALDH1A1MAPTLMNAGAA
Mesotrione SCHEMBL4895947 0.80 HPD (0.62) ALDH3A1ALDH1A1MAPTLMNAGAA
Mesotrione SCHEMBL29352201 0.80 HPD (0.62) ALDH3A1ALDH1A1MAPTLMNAGAA
Mesotrione SCHEMBL2233142 0.79 HPD (0.61) ALDH3A1ALDH1A1MAPTLMNAGAA
Mesotrione SCHEMBL1162075 0.79 HPD (0.61) ALDH3A1ALDH1A1MAPTLMNAGAA
Mesotrione SCHEMBL20723476 0.79 HPD (0.61) ALDH3A1ALDH1A1MAPTLMNAGAA
Mesotrione SCHEMBL2503425 0.79 HPD (0.61) ALDH3A1ALDH1A1MAPTLMNAGAA
Mesotrione SCHEMBL1667345 0.79 HPD (0.61) ALDH3A1ALDH1A1MAPTLMNAGAA
Mesotrione SCHEMBL22720520 0.78 HPD (0.60) ALDH3A1ALDH1A1MAPTLMNAGAA
SCHEMBL5940530 0.77 ALDH1A1 (0.38) ALDH3A1ALDH1A1MAPTLMNAGAA

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-211514155-U Mesotrione's stirring mixing arrangement 浙江中山化工集团股份有限公司 2020-09-18 CN disclosed