SCHEMBL4060948

SCHEMBL4060948

CC(=O)c1cccc(-c2cccc(C#N)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 1/20 0.53
XDH P47989 1/20 0.53
SLC22A12 Q96S37 1/20 0.53
CLK4 Q9HAZ1 3/20 0.50
GSK3B P49841 2/20 0.50
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50
IDO1 P14902 1/20 0.47
IKBKB O14920 1/20 0.47
CHUK O15111 1/20 0.47
MAP4K4 O95819 2/20 0.47
CSNK1G2 P78368 2/20 0.47
MKNK2 Q9HBH9 2/20 0.47
MAP4K5 Q9Y4K4 2/20 0.47
F11 P03951 1/20 0.46
PARP10 Q53GL7 1/20 0.46
PARP11 Q9NR21 1/20 0.46
PIN1 Q13526 1/20 0.46
PTPN5 P54829 1/20 0.46
PGR P06401 2/20 0.44

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
SCHEMBL30239069 0.89 GSK3B (0.61) GSK3BDYRK1B
SCHEMBL39137 0.89 GSK3B (0.61) GSK3BDYRK1B
SCHEMBL22801094 0.88 KAT6A (0.56) KAT6AXDHCLK4CTSSCTSK
SCHEMBL20647100 0.88 MAPT (0.56) KAT6AXDHSLC22A12CLK4PTPN5
SCHEMBL5529069 0.84 XDH (0.62) KAT6AXDHSLC22A12CLK4GSK3B
SCHEMBL10389918 0.83 MAP4K4 (0.59) CLK4MAP4K4CSNK1G2MKNK2MAP4K5
SCHEMBL7822720 0.82 PLAU (0.61) KAT6AXDHSLC22A12GSK3BCDK8
SCHEMBL16108317 0.81 KAT6A (0.59) KAT6AXDHSLC22A12CLK4GSK3B
SCHEMBL2586835 0.81 KMO (0.59) CLK4MAP4K4CSNK1G2MKNK2MAP4K5
SCHEMBL254013 0.81 XDH (0.54) KAT6AXDHSLC22A12CLK4GSK3B

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-2009109504-A1 ENOL CARBAMATE DERIVATIVES AS MODULATORS OF FATTY ACID AMIDE HYDROLASE SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2009-09-11 WO disclosed