SCHEMBL8730869

SCHEMBL8730869

CCC(C)(C)Nc1ccc(Cl)c(Cl)c1C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 3/20 0.37
PLK4 O00444 3/20 0.37
DYRK3 O43781 3/20 0.37
ROCK2 O75116 3/20 0.37
PRKD3 O94806 3/20 0.37
MAP4K4 O95819 3/20 0.37
INSR P06213 3/20 0.37
CDK1 P06493 3/20 0.37
PIM1 P11309 3/20 0.37
FGFR1 P11362 3/20 0.37
PRKACA P17612 3/20 0.37
RPS6KB1 P23443 3/20 0.37
CDK2 P24941 3/20 0.37
KDR P35968 3/20 0.37
CSNK1A1 P48729 3/20 0.37
CSNK1D P48730 3/20 0.37
CLK2 P49760 3/20 0.37
GSK3B P49841 3/20 0.37
IRAK1 P51617 3/20 0.37
LIMK1 P53667 3/20 0.37

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
SCHEMBL8735080 0.88 CDC7 (0.37) CDC7PLK4DYRK3ROCK2PRKD3
SCHEMBL8732726 0.87 CLCN2 (0.40) L3MBTL1CLCN2LMNAPOLBKMT2A
SCHEMBL8735208 0.87 CDC7 (0.38) CDC7PLK4DYRK3ROCK2PRKD3
SCHEMBL8735188 0.82 POLB (0.46) LMNAPOLBKMT2AMEN1MAPK1
SCHEMBL8730812 0.82 L3MBTL1 (0.43) L3MBTL1LMNAPOLBKMT2AMEN1
SCHEMBL8735203 0.78 HPGD (0.50) L3MBTL1LMNAPOLBKMT2AMEN1
SCHEMBL8735058 0.75 CLCN2 (0.40) L3MBTL1CLCN2LMNAPOLBKMT2A
SCHEMBL8761584 0.74 KDM4E (0.40) CDK2POLBKMT2ACD38MEN1
SCHEMBL8730848 0.73 CLCN2 (0.41) CLCN2LMNAPOLBKMT2AMEN1
SCHEMBL9017623 0.72 SLC6A2 (0.34) CDC7PLK4DYRK3ROCK2PRKD3

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
EP-0749416-B1 SELECTED BENZAMIDE FUNGICIDES FOR THE CONTROL OF TAKE-ALL DISEASE OF PLANTS MONSANTO CO (US) 1998-12-23 EP disclosed