SCHEMBL13664868

SCHEMBL13664868

CC(C)(C)OC(=O)NCCCNc1ccc(Cl)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.55
STK17A Q9UEE5 1/20 0.55
GRIN1 Q05586 3/20 0.52
GRIN2B Q13224 3/20 0.52
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
IDO1 P14902 2/20 0.44
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
DRD2 P14416 3/20 0.43
BRD4 O60885 1/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
MAPT P10636 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL13664819 0.97 STK17B (0.52) STK17BSTK17AGRIN1GRIN2BCA1
SCHEMBL22546955 0.84 CA1 (0.63) CA1CA2LMNAHTTMEN1
SCHEMBL30787994 0.84 CA1 (0.63) CA1CA2LMNAHTTMEN1
SCHEMBL2991645 0.83 MAPK1 (0.53) STK17BSTK17ACA1CA2TDP1
SCHEMBL29894718 0.82 EGFR (0.50) STK17BSTK17AGRIN1GRIN2BCA1
SCHEMBL13664796 0.82 MEN1 (0.40) STK17BSTK17AGRIN1GRIN2BLMNA
SCHEMBL29894737 0.82 EGFR (0.51) STK17BSTK17ALMNAHTTIDO1
SCHEMBL7419088 0.81 STK17B (0.50) STK17BSTK17ACA1CA2TDP1
SCHEMBL13664735 0.81 ACACB (0.48) STK17BSTK17ACA1CA2TDP1
SCHEMBL14830020 0.80 PYGL (0.53) STK17BSTK17AGRIN1GRIN2BCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009119528-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-10-01 WO disclosed