SCHEMBL29236525

SCHEMBL29236525

Nc1cc(C2=CCOCC2)c(Cl)cc1F

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 6/20 0.34
▸ MTOR P42345 4/20 0.34
▸ IDH2 P48735 2/20 0.34
▸ MAPK14 Q16539 6/20 0.32
▸ CSNK1E P49674 3/20 0.32
▸ CSNK1D P48730 2/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ BACE1 P56817 3/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ SUV39H2 Q9H5I1 1/20 0.31
▸ CDC7 O00311 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ PDE3B Q13370 1/20 0.30
▸ PDE3A Q14432 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
SCHEMBL29236532 0.76 IDH2 (0.35) PIK3CAIDH2PIK3CDPIK3CBPIK3CG
SCHEMBL23132942 0.75 GAA (0.46) PIK3CAMAPK14PIK3CDPIK3CBPIK3CG
SCHEMBL29236507 0.75 IDH2 (0.33) PIK3CAIDH2PIK3CDPIK3CBPIK3CG
SCHEMBL31125217 0.73 — —
SCHEMBL30461496 0.73 AHR (0.34) PIK3CAMAPK14PIK3CDPIK3CBPIK3CG
SCHEMBL25223348 0.73 AHR (0.34) PIK3CAMAPK14PIK3CDPIK3CBPIK3CG
SCHEMBL29552184 0.72 PDE3B (0.36) PIK3CAMTORIDH2MAPK14CSNK1E
SCHEMBL14720958 0.72 BACE1 (0.42) MAPK14CSNK1ECSNK1DBACE1KCNH2
SCHEMBL6395910 0.72 PDE3B (0.36) PIK3CAMTORIDH2MAPK14CSNK1E
SCHEMBL9882583 0.71 MAPK14 (0.34) PIK3CAMAPK14PIK3CDPIK3CBPIK3CG

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-118184639-A GSPT1 degradation agent and application thereof 南京圣和药业股份有限公司 2024-06-14 — — CN disclosed
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