SCHEMBL28046794

SCHEMBL28046794

CC(O)Cc1cccc(C#N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.55
FOLH1 Q04609 1/20 0.50
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
ENPP2 Q13822 1/20 0.46
MAOB P27338 1/20 0.44
LMNA P02545 1/20 0.44
SLC6A3 Q01959 1/20 0.44
IDH1 O75874 1/20 0.43
MEP1A Q16819 1/20 0.43
MEP1B Q16820 1/20 0.43
SCN8A Q9UQD0 1/20 0.43
DPP4 P27487 2/20 0.42
DPP7 Q9UHL4 2/20 0.42
FAP Q12884 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 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
SCHEMBL2660512 0.85 GLA (0.58) GLAFOLH1SLC6A2SLC6A4MAOB
SCHEMBL4496028 0.84 GLA (0.57) GLAFOLH1SLC6A2SLC6A4SLC6A3
SCHEMBL5262783 0.84 GLA (0.57) GLAFOLH1SLC6A2SLC6A4SLC6A3
SCHEMBL4411744 0.82 GLA (0.49) GLAFOLH1SLC6A2SLC6A4MAOB
SCHEMBL21316490 0.82 GLA (0.55) GLAFOLH1SLC6A2SLC6A4MAOB
SCHEMBL10606037 0.82 FOLH1 (0.50) GLAFOLH1SLC6A2SLC6A4ENPP2
SCHEMBL22395447 0.82 FOLH1 (0.50) GLAFOLH1SLC6A2SLC6A4ENPP2
SCHEMBL6666068 0.81 HRH3 (0.58) GLAFOLH1SLC6A2SLC6A4MAOB
SCHEMBL20170038 0.81 GLA (0.54) GLAFOLH1SLC6A2SLC6A4MAOB
SCHEMBL18648975 0.81 GLA (0.54) GLAFOLH1SLC6A2SLC6A4MAOB

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
CN-105330565-B Novel method for catalytically synthesizing cyanobenzene derivative through copper 杭州师范大学 2017-05-24 CN disclosed
CN-105330565-A Novel method for catalytically synthesizing cyanobenzene derivative through copper UNIV HANGZHOU NORMAL 2016-02-17 CN disclosed