SCHEMBL1015004

SCHEMBL1015004

COC(=O)Oc1cn(C)nc1C(Cl)Cl

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
GLA P06280 1/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 2/20 0.33
CUL4A Q13619 2/20 0.31
GAA P10253 3/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
JAK2 O60674 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 2/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL3258070 0.85 PDE10A (0.32) KMT2AGLA
SCHEMBL1010935 0.85 ADORA3 (0.36) KMT2AKDM4EHSD17B10POLBCUL4A
SCHEMBL4563987 0.84 TSHR (0.32) KMT2ASMN1; SMN2MEN1TSHR
SCHEMBL3256540 0.84 KDM4E (0.36) KMT2AGLAKDM4EHPGDHSD17B10
SCHEMBL1396811 0.84 KDM4E (0.36) KMT2AGLAKDM4EHPGDHSD17B10
SCHEMBL27937177 0.83 HIF1A (0.37) KMT2AGLAKDM4EHPGDHSD17B10
SCHEMBL3256552 0.77 KMT2A (0.40) KMT2AGLAKDM4EHPGDHSD17B10
SCHEMBL3296730 0.75 MAPT (0.39) KMT2AGLAKDM4EHPGDGAA
SCHEMBL3252799 0.74 KDM4E (0.36) KMT2AGLAKDM4EHPGDHSD17B10
SCHEMBL16106085 0.74 ADORA2A (0.34) KMT2AKDM4EHSD17B10POLBCUL4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678142-B1 HEXYL CARBOXANILIDES AND THEIR USE FOR CONTROLLING UNDESIRABLE MICRO-ORGANISMS BAYER CROPSCIENCE AG (DE) 2014-10-01 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-B1 1,3-DIMETHYLBUTYLCARBOXANILIDES FOR CONTROLLING UNDESIRABLE MICRO-ORGANISMS BAYER CROPSCIENCE AG (DE) 2014-02-12 EP disclosed
EP-1678119-B1 METHOD FOR PRODUCING 2-DIHALOACYL-3-AMINO-ACRYLIC ACID ESTERS AND 3-DIHALOMETHYL-PYRAZOLE-4-CARBOXYLIC ACID ESTERS BAYER CROPSCIENCE AG (DE) 2011-01-05 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