SCHEMBL2053263

SCHEMBL2053263

CC1(C)OB(c2ccnc(CCC(N)=O)c2)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
LIPG Q9Y5X9 5/20 0.39
F11 P03951 3/20 0.38
F2 P00734 2/20 0.38
PRSS1 P07477 2/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
LPL P06858 4/20 0.36
DGAT1 O75907 1/20 0.36
HIF1A Q16665 3/20 0.35
PDGFRB P09619 1/20 0.35
KDR P35968 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
ROCK1 Q13464 1/20 0.34

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
SCHEMBL30404549 0.88 LIPG (0.51) GSK3AGSK3BLIPGF11F2
SCHEMBL2049952 0.86 F11 (0.40) GSK3AGSK3BLIPGF11F2
SCHEMBL23599196 0.85 DGAT1 (0.41) GSK3AGSK3BLIPGLPLDGAT1
SCHEMBL28507924 0.81 F11 (0.37) GSK3AGSK3BLIPGF11F2
SCHEMBL16465738 0.80 LPL (0.53) GSK3AGSK3BLIPGLPLKDM4E
SCHEMBL15984293 0.79 LIPG (0.39) GSK3AGSK3BLIPGF11LPL
SCHEMBL29780491 0.77 LIPG (0.37) GSK3AGSK3BLIPGLPLPRMT5
SCHEMBL31227320 0.77 LPL (0.44) GSK3AGSK3BLIPGF11LPL
SCHEMBL2458829 0.77 LPL (0.44) GSK3AGSK3BLIPGF11LPL
SCHEMBL3476747 0.76 HIF1A (0.40) GSK3AGSK3BLIPGLPLDGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516423-A1 THIENYLPYRI (MI) DINYLAZOLE AND THEIR USE FOR CONTROLLING PHYTOPATHOGENIC FUNGI Bayer CropScience AG (DE) 2012-10-31 EP disclosed
WO-2011076725-A1 THIENYLPYRI (MI) DINYLAZOLE AND THEIR USE FOR CONTROLLING PHYTOPATHOGENIC FUNGI BAYER CROPSCIENCE AG (DE) 2011-06-30 WO disclosed