SCHEMBL31435686

SCHEMBL31435686

O=C1Nc2ccccc2C12CC1CC2C1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.51
PDK2 Q15119 1/20 0.44
PDK4 Q16654 1/20 0.44
PLK4 O00444 7/20 0.43
AURKB Q96GD4 4/20 0.43
CYP2C19 P33261 1/20 0.43
FLT3 P36888 1/20 0.43
LMNA P02545 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
IDO1 P14902 1/20 0.41
BACE1 P56817 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
SCHEMBL29786431 0.90 GSK3B (0.49) GSK3BPDK2PDK4PLK4AURKB
SCHEMBL3867311 0.90 GSK3B (0.49) GSK3BPDK2PDK4PLK4AURKB
SCHEMBL4778699 0.77 GSK3B (0.55) GSK3BPDK2PDK4PLK4AURKB
SCHEMBL19216470 0.77 GSK3B (0.59) GSK3BPDK2PDK4PLK4AURKB
SCHEMBL30548926 0.77 GSK3B (0.59) GSK3BPDK2PDK4PLK4AURKB
SCHEMBL2573765 0.77 GSK3B (0.59) GSK3BPDK2PDK4PLK4AURKB
SCHEMBL26050871 0.77 GSK3B (0.51) GSK3BPDK2PDK4PLK4AURKB
SCHEMBL13686000 0.75 PDK2 (0.46) GSK3BPDK2PDK4LMNAALDH1A1
SCHEMBL23501944 0.72 GSK3B (0.50) GSK3BPDK2PDK4PLK4AURKB
SCHEMBL14555908 0.72 GSK3B (0.50) GSK3BPDK2PDK4PLK4AURKB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119569639-A Bicyclo [2.1.1] hexane spiro-2-oxindole derivative and preparation method thereof 南宁师范大学 2025-03-07 CN claimed
CN-119569639-A Bicyclo [2.1.1] hexane spiro-2-oxindole derivative and preparation method thereof 南宁师范大学 2025-03-07 CN disclosed
CN-119569639-A Bicyclo [2.1.1] hexane spiro-2-oxindole derivative and preparation method thereof 南宁师范大学 2025-03-07 CN disclosed
CN-119569639-A Bicyclo [2.1.1] hexane spiro-2-oxindole derivative and preparation method thereof 南宁师范大学 2025-03-07 CN disclosed