SCHEMBL3256552

SCHEMBL3256552

COC(=O)Oc1cn(C)nc1OC

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
GLA P06280 1/20 0.40
KDM4E B2RXH2 3/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.37
CUL4A Q13619 2/20 0.35
GAA P10253 3/20 0.35
MAP3K5 Q99683 8/20 0.34
CYP2C9 P11712 2/20 0.34
KCNH2 Q12809 2/20 0.34
CYP3A4 P08684 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
JAK2 O60674 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 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
SCHEMBL2900850 0.84 KMT2A (0.38) KMT2AGLAKDM4EPOLBGAA
SCHEMBL3252618 0.84 CUL4A (0.39) KMT2AGLAKDM4EHSD17B10POLB
SCHEMBL1396811 0.77 KDM4E (0.36) KMT2AGLAKDM4EHPGDHSD17B10
SCHEMBL3252799 0.77 KDM4E (0.36) KMT2AGLAKDM4EHPGDHSD17B10
SCHEMBL1015004 0.77 KMT2A (0.36) KMT2AGLAKDM4EHPGDHSD17B10
SCHEMBL3256540 0.77 KDM4E (0.36) KMT2AGLAKDM4EHPGDHSD17B10
SCHEMBL26149346 0.72 POLB (0.43) KMT2AGLAKDM4EPOLBGAA
SCHEMBL5653038 0.71 GAA (0.42) KMT2AGLAGAAMAP3K5CYP2C9
SCHEMBL22572547 0.69 MAP3K5 (0.41) KMT2APOLBGAAMAP3K5CYP2C9
SCHEMBL2516540 0.69 POLB (0.44) KMT2APOLBGAAMAP3K5CYP2C9

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-2192115-B1 1,3-DIMETHYLBUTYLCARBOXANILIDES FOR CONTROLLING UNDESIRABLE MICRO-ORGANISMS BAYER CROPSCIENCE AG (DE) 2014-02-12 EP disclosed
EP-1678141-B1 1,3-DIMETHYLBUTYL CARBOXANILIDES FOR CONTROLLING UNDESIRABLE MICRO-ORGANISMS BAYER CROPSCIENCE AG (DE) 2014-02-12 EP disclosed
EP-2192115-A1 1,3-dimethylbutylcarboxanilides for controlling undesirable micro-organisms Bayer CropScience AG (DE) 2010-06-02 EP disclosed
EP-1678141-A1 1,3-DIMETHYLBUTYL CARBOXANILIDES FOR CONTROLLING UNDESIRABLE MICRO-ORGANISMS Bayer CropScience Aktiengesellschaft (DE) 2006-07-12 EP disclosed
WO-2005042492-A1 1,3-DIMETHYLBUTYL CARBOXANILIDES FOR CONTROLLING UNDESIRABLE MICRO-ORGANISMS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-05-12 WO disclosed