SCHEMBL30882585

SCHEMBL30882585

CCC(=O)c1ccc2c(c1)C(F)(F)c1ccccc1-2

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 17/20 0.48
▸ MAPT P10636 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL28270044 0.86 PDK2 (0.47) PDK2
SCHEMBL18235870 0.84 PDK2 (0.45) PDK2MAPTSMN1; SMN2L3MBTL1
SCHEMBL19764173 0.84 MAPT (0.41) PDK2MAPTSMN1; SMN2L3MBTL1
SCHEMBL18012749 0.83 PDK2 (0.44) PDK2MAPTSMN1; SMN2L3MBTL1
SCHEMBL30617326 0.83 PDK2 (0.44) PDK2MAPTSMN1; SMN2L3MBTL1
SCHEMBL26120453 0.82 PDK2 (0.56) PDK2
SCHEMBL15131513 0.80 PDK2 (0.44) PDK2MAPTSMN1; SMN2L3MBTL1
SCHEMBL30882467 0.79 PDK2 (0.46) PDK2
SCHEMBL18235863 0.79 PDK2 (0.45) PDK2MAPTSMN1; SMN2L3MBTL1
SCHEMBL14692626 0.78 GSK3B (0.50) PDK2

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-117903077-B Dihydrooxadiazinone compound and application thereof 上海超阳药业有限公司 2024-09-03 — — CN disclosed
CN-117903077-A Dihydrooxadiazinon compound and application thereof 上海超阳药业有限公司 2024-04-19 — — CN disclosed
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