SCHEMBL4060950

SCHEMBL4060950

N#Cc1cccc(-c2cccc(CC=O)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 2/20 0.46
XDH P47989 1/20 0.45
SLC22A12 Q96S37 1/20 0.45
GABRG2 P18507 3/20 0.44
GABRB3 P28472 3/20 0.44
GABRA5 P31644 3/20 0.44
GABRA3 P34903 3/20 0.44
MMP12 P39900 1/20 0.44
MMP13 P45452 1/20 0.44
PGR P06401 2/20 0.43
GLA P06280 1/20 0.43
PTPN5 P54829 1/20 0.42
GABRA1 P14867 1/20 0.42
ADRA2C P18825 1/20 0.42
MME P08473 1/20 0.41
CHEK1 O14757 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL253203 0.89 GLA (0.51) GLA
SCHEMBL30646949 0.89 GLA (0.51) GLA
SCHEMBL2586836 0.81 AGXT (0.45)
SCHEMBL7450600 0.80 CLK4 (0.50) CLK4XDHSLC22A12GABRG2GABRB3
SCHEMBL2154026 0.79 CLK4 (0.65) CLK4XDHSLC22A12GABRG2GABRB3
SCHEMBL13266542 0.79 GABRG2 (0.49) CLK4XDHSLC22A12GABRG2GABRB3
SCHEMBL20946379 0.79 LOXL2 (0.53) CLK4XDHSLC22A12GABRG2GABRB3
SCHEMBL1997372 0.79 CLK4 (0.49) CLK4XDHSLC22A12GABRG2GABRB3
SCHEMBL688074 0.79 PRKCI (0.53) CLK4XDHSLC22A12GABRG2GABRB3
SCHEMBL1420024 0.77 AGXT (0.52) PTPN5

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