SCHEMBL31031241

SCHEMBL31031241

C[Si](C)(C)C#Cc1ccc2c(c1)nc1cc(N3CC(O)C3)ccn12

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
SUV39H2 Q9H5I1 2/20 0.33
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
ACHE P22303 1/20 0.30

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
SCHEMBL31031256 0.89 KDM4E (0.37) KDM4EALDH1A1GLAGAACSNK2A2
SCHEMBL31031235 0.83 KDM4E (0.33) KDM4EALDH1A1GLAGAA
SCHEMBL31031218 0.78 SUV39H2 (0.34) KDM4EALDH1A1GLAGAASUV39H2
SCHEMBL31031232 0.77 KCNH2 (0.34) SUV39H2
SCHEMBL31031212 0.76 ALDH1A1 (0.39) KDM4EALDH1A1GLAGAA
SCHEMBL31031233 0.75
SCHEMBL31031214 0.74 MAPK8 (0.32)
SCHEMBL18838775 0.73 IKBKB (0.40) KDM4EALDH1A1GLAGAASUV39H2
SCHEMBL31031224 0.73 KDM4E (0.40) KDM4EALDH1A1GLAGAACSNK2A2
SCHEMBL31031251 0.70 SUV39H2 (0.35) SUV39H2

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
EP-4658651-A1 NOVEL COMPOUNDS FOR TAU IMAGING Eli Lilly and Company (US) 2025-12-10 EP disclosed
WO-2024163546-A1 NOVEL COMPOUNDS FOR TAU IMAGING ELI LILLY AND COMPANY (US) 2024-08-08 WO disclosed