SCHEMBL8467136

SCHEMBL8467136

CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCNC2=O)c([N+](=O)[O-])c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPD P32754 1/20 0.46
ALDH1A1 P00352 5/20 0.40
ALDH3A1 P30838 4/20 0.38
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
MITF O75030 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
CCR6 P51684 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP2C9 P11712 1/20 0.34
KDM4E B2RXH2 1/20 0.34
FLT1 P17948 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL9711707 0.85 HPD (0.48) HPDALDH1A1MAPTLMNAGAA
Mesotrione SCHEMBL29352201 0.84 HPD (0.62) HPDALDH1A1ALDH3A1MAPTLMNA
Mesotrione SCHEMBL4895947 0.84 HPD (0.62) HPDALDH1A1ALDH3A1MAPTLMNA
Mesotrione SCHEMBL22116 0.84 HPD (0.62) HPDALDH1A1ALDH3A1MAPTLMNA
SCHEMBL9711540 0.83 HPD (0.49) HPDALDH1A1MAPTLMNAMEN1
Mesotrione SCHEMBL20723476 0.83 HPD (0.61) HPDALDH1A1ALDH3A1MAPTLMNA
Mesotrione SCHEMBL2503425 0.83 HPD (0.61) HPDALDH1A1ALDH3A1MAPTLMNA
Mesotrione SCHEMBL2233142 0.83 HPD (0.61) HPDALDH1A1ALDH3A1MAPTLMNA
Mesotrione SCHEMBL1667345 0.83 HPD (0.61) HPDALDH1A1ALDH3A1MAPTLMNA
Mesotrione SCHEMBL1162075 0.83 HPD (0.61) HPDALDH1A1ALDH3A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0756452-B1 SYNERGISTIC HERBICIDAL COMPOSITION AND METHOD OF USE THEREOF ZENECA LTD (GB) 1999-05-12 EP disclosed
US-5114461-A Herbicides MAY & BAKER LIMITED (GB) 1992-05-19 US disclosed
EP-0354047-A2 Herbicidal method using atrazine MAY & BAKER LIMITED (GB) 1990-02-07 EP disclosed
EP-0354046-A2 Herbicidal method using bromoxynil MAY & BAKER LIMITED (GB) 1990-02-07 EP disclosed
EP-0278742-A2 Cyclic diones MAY & BAKER LIMITED (GB) 1988-08-17 EP disclosed