SCHEMBL29068276

SCHEMBL29068276

Cc1c[c]ccc1-c1cccc(C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 1/20 0.44
ADRA2C P18825 1/20 0.43
MAOB P27338 1/20 0.42
PGR P06401 3/20 0.41
AR P10275 1/20 0.41
BRD4 O60885 1/20 0.39
IDO1 P14902 2/20 0.39
NOTUM Q6P988 1/20 0.39
LRRK2 Q5S007 2/20 0.39
F11 P03951 1/20 0.38
PIN1 Q13526 1/20 0.38
MAP4K4 O95819 1/20 0.38
GSK3A P49840 1/20 0.38

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
SCHEMBL20774359 0.82 CLK4 (0.45) CLK4ADRA2CMAOBBRD4IDO1
SCHEMBL28589926 0.81 ADRA2C (0.47) CLK4ADRA2CMAOBIDO1NOTUM
SCHEMBL1982974 0.80 ADRA2C (0.50) CLK4ADRA2CPGRBRD4LRRK2
SCHEMBL5634702 0.80 ACHE (0.39) CLK4MAOBIDO1LRRK2MAP4K4
SCHEMBL4506629 0.80 ADRA2C (0.55) CLK4ADRA2CMAOBPGRAR
SCHEMBL14850862 0.77 CLK4 (0.46) CLK4ADRA2CMAOBPGRAR
SCHEMBL2012945 0.77 ACHE (0.39) CLK4PGRMAP4K4
SCHEMBL7873514 0.77 ESR2 (0.45)
SCHEMBL4649579 0.75 CLK4 (0.41) CLK4ADRA2CMAOBPGRAR
SCHEMBL695298 0.75 ESR2 (0.44)

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
CN-116472034-A Indene compound, pharmaceutical composition thereof and therapeutic application thereof 藤济(厦门)生物医药科技有限公司 2023-07-21 CN disclosed