SCHEMBL11090549

SCHEMBL11090549

COC(=O)C(C)Oc1ccc(N(C)c2nc3cc(Cl)ccc3s2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PPARA Q07869 6/20 0.41
ALOX5 P09917 3/20 0.40
CA9 Q16790 1/20 0.40
ALOX15 P16050 2/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
AGPAT2 O15120 1/20 0.39
CYP1A2 P05177 2/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
NFKB1 P19838 1/20 0.38
HIF1A Q16665 1/20 0.38
GMNN O75496 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
SCHEMBL11099308 0.90 PPARA (0.47) MAPTPPARAALOX5ALOX15TSHR
SCHEMBL10963156 0.81 MAPT (0.54) MAPTKMT2AMEN1L3MBTL1PPARA
SCHEMBL10684245 0.79 MAPT (0.47) MAPTKMT2AMEN1L3MBTL1ALOX15
SCHEMBL11168520 0.78 CYP1A2 (0.52) MAPTKMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL11097512 0.78 MAPT (0.46) MAPTKMT2AMEN1L3MBTL1ALOX15
SCHEMBL10915313 0.78 MAPT (0.47) MAPTKMT2AMEN1L3MBTL1ALOX15
SCHEMBL11270736 0.78 MAPT (0.49) MAPTKMT2AMEN1L3MBTL1ALOX15
SCHEMBL11094762 0.76 PTGS2 (0.53) MAPTKMT2AMEN1PPARAALOX5
SCHEMBL11156369 0.76 MEN1 (0.46) MAPTKMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL11123131 0.75 MAPT (0.43) MAPTKMT2AMEN1L3MBTL1ALOX15

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-0018080-B1 HERBICIDAL COMPOUNDS, THEIR PREPARATION, COMPOSITIONS AND PROCESS FOR THE USE THEREOF ICI AUSTRALIA LIMITED (AU) 1984-03-14 EP claimed
EP-0018080-A1 Herbicidal compounds, their preparation, compositions and process for the use thereof ICI AUSTRALIA LIMITED (AU) 1980-10-29 EP claimed
EP-0018080-B1 HERBICIDAL COMPOUNDS, THEIR PREPARATION, COMPOSITIONS AND PROCESS FOR THE USE THEREOF ICI AUSTRALIA LIMITED (AU) 1984-03-14 EP disclosed
US-4314065-A HERBICIDES ICI AUSTRALIA LIMITED (AU) 1982-02-02 US disclosed
EP-0018080-A1 Herbicidal compounds, their preparation, compositions and process for the use thereof ICI AUSTRALIA LIMITED (AU) 1980-10-29 EP disclosed