Mesotrione

Mesotrione

SCHEMBL1667345

CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c([N+](=O)[O-])c1.[Fe+2]

nearest known ligand 0.97

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPD P32754 1/20 0.61
ALDH3A1 P30838 3/20 0.45
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.38

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 0.99 HPD (0.62) HPDALDH3A1ALDH1A1MEN1KMT2A
Mesotrione SCHEMBL29352201 0.99 HPD (0.62) HPDALDH3A1ALDH1A1MEN1KMT2A
Mesotrione SCHEMBL4895947 0.99 HPD (0.62) HPDALDH3A1ALDH1A1MEN1KMT2A
Mesotrione SCHEMBL16115701 0.98 HPD (0.59) HPDALDH3A1ALDH1A1MEN1KMT2A
Mesotrione SCHEMBL2503425 0.97 HPD (0.61) HPDALDH3A1ALDH1A1MEN1KMT2A
Mesotrione SCHEMBL20723476 0.97 HPD (0.61) HPDALDH3A1ALDH1A1MEN1KMT2A
Mesotrione SCHEMBL1162075 0.97 HPD (0.61) HPDALDH3A1ALDH1A1MEN1KMT2A
Mesotrione SCHEMBL2233142 0.97 HPD (0.61) HPDALDH3A1ALDH1A1MEN1KMT2A
Mesotrione SCHEMBL22720520 0.96 HPD (0.60) HPDALDH3A1ALDH1A1MEN1KMT2A
Mesotrione SCHEMBL366882 0.94 HPD (0.58) HPDALDH3A1ALDH1A1MEN1KMT2A

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
US-20130244880-A1 Novel pesticide formulations HiCap Formulations Ltd2 (GB) 2013-09-19 US disclosed
EP-2482802-A1 NOVEL PESTICIDE FORMULATIONS Burnet, Michael (DE) 2012-08-08 EP disclosed
WO-2011040956-A1 NOVEL PESTICIDE FORMULATIONS BURNET MICHAEL (DE) 2011-04-07 WO disclosed