SCHEMBL4459068

SCHEMBL4459068

COC(=O)Oc1cnn(C)c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
CYP1A2 P05177 1/20 0.44
CDK1 P06493 1/20 0.41
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
NLRP3 Q96P20 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
AKT1 P31749 1/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL6053633 0.92 GAA (0.54) GAACYP1A2CDK1MAPTTP53
SCHEMBL5137841 0.91 GAA (0.49) GAACYP1A2CDK1MAPTTP53
SCHEMBL9661255 0.83 GAA (0.53) GAACYP1A2CDK1MAPTTP53
SCHEMBL116670 0.83 GAA (0.53) GAACYP1A2CDK1MAPTTP53
SCHEMBL1535829 0.83 GAA (0.53) GAACYP1A2CDK1MAPTTP53
SCHEMBL7798073 0.81 GAA (0.46) GAACYP1A2CDK1MAPTTP53
SCHEMBL28384492 0.81 GAA (0.48) GAACYP1A2CDK1MAPTTP53
SCHEMBL9660372 0.80 GAA (0.50) GAACYP1A2CDK1MAPTTP53
SCHEMBL10362436 0.80 GAA (0.50) GAACYP1A2CDK1MAPTTP53
SCHEMBL10362437 0.80 GAA (0.50) GAACYP1A2CDK1MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1898705-B1 OIL SUSPENSION CONCENTRATE BAYER CROPSCIENCE AG (DE) 2009-10-14 EP disclosed
EP-1898705-A1 OIL SUSPENSION CONCENTRATE Bayer CropScience AG (DE) 2008-03-19 EP disclosed
EP-1890542-A1 HERBICIDES BAYER CROPSCIENCE AG (DE) 2008-02-27 EP disclosed
EP-1732392-A1 HERBICIDE COMBINATION Bayer CropScience GmbH (DE) 2006-12-20 EP disclosed
WO-2006131188-A1 HERBICIDES BAYER CROPSCIENCE AG (DE) 2006-12-14 WO disclosed
WO-2006131187-A1 OIL SUSPENSION CONCENTRATE BAYER CROPSCIENCE AG (DE) 2006-12-14 WO disclosed
EP-1728430-A1 Herbicidal agents Bayer CropScience GmbH (DE) 2006-12-06 EP disclosed
WO-2005092105-A1 HERBICIDE COMBINATION BAYER CROPSCIENCE GMBH (DE) 2005-10-06 WO disclosed
EP-1317441-B1 METHOD FOR PRODUCING A CYCLOHEXENONE OXIME ETHER LITHIUM SALT BASF AG (DE) 2005-06-15 EP disclosed
EP-1104239-B1 HERBICIDES WITH ACYLATED AMINOPHENYLSULFONYL UREA BAYER CROPSCIENCE GMBH (DE) 2004-02-18 EP disclosed
EP-0871609-B1 CYCLOHEXENONE OXIME ETHER METAL SALTS BASF AG (DE) 2001-11-07 EP disclosed