SCHEMBL29005371

SCHEMBL29005371

c1cc2c(nn1)CCOC2

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.31

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
SCHEMBL13028729 0.84
SCHEMBL31647978 0.84
SCHEMBL2054541 0.72 DRD2 (0.36) PDK1
SCHEMBL29467508 0.72 DRD2 (0.36) PDK1
SCHEMBL968063 0.70 SIGMAR1 (0.43)
SCHEMBL31126014 0.70
SCHEMBL5021299 0.68 SIGMAR1 (0.41)
SCHEMBL29005351 0.68
SCHEMBL25318415 0.67 NOS3 (0.31) PDK1
SCHEMBL1827327 0.67 PDK1 (0.30) PDK1

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-115803317-A Azabicyclo (thio) amides as fungicidal compounds 拜耳作物科学股份公司 2023-03-14 CN disclosed