SCHEMBL28944764

SCHEMBL28944764

CCCCOC(=O)N(CCOCCOCCO)c1ccc2nc(-c3ccc(-c4ccc(N(C)C)nc4)cc3)sc2c1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
APP P05067 11/20 0.45
MAPT P10636 7/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
ATP4A P20648 2/20 0.37
ATP4B P51164 2/20 0.37

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
SCHEMBL27173117 0.88 APP (0.48) APPMAPTGLAGAA
SCHEMBL23364372 0.88 PAX8 (0.45) APPMAPTGLAGAA
SCHEMBL29453173 0.88 PAX8 (0.45) APPMAPTGLAGAA
SCHEMBL26510486 0.88 PAX8 (0.45) APPMAPTGLAGAA
SCHEMBL28944763 0.87 APP (0.43) APPMAPTGLAGAA
SCHEMBL26510426 0.85 PAX8 (0.45) APPMAPTGLAGAA
SCHEMBL26510490 0.85 PAX8 (0.45) APPMAPTGLAGAA
SCHEMBL26510408 0.84 PAX8 (0.46) APPMAPTGLAGAA
SCHEMBL27173169 0.83 APP (0.46) APPMAPTGLAGAA
SCHEMBL29876970 0.81 PAX8 (0.45) APPMAPTGLAGAA

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-114728071-A Compound for degrading TAU protein aggregate and application thereof 新旭生技股份有限公司 2022-07-08 CN disclosed