SCHEMBL29236507

SCHEMBL29236507

O=C=Nc1cc(C2=CCOCC2)c(Cl)cc1F

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ IDH2 P48735 2/20 0.33
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ PIK3CG P48736 1/20 0.31

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
SCHEMBL29236525 0.75 PIK3CA (0.34) IDH2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL7931545 0.70 TDP1 (0.45) —
SCHEMBL29236532 0.70 IDH2 (0.35) IDH2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL10347965 0.69 TDP1 (0.39) —
SCHEMBL9882583 0.65 MAPK14 (0.34) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL9036874 0.65 CA12 (0.47) —
SCHEMBL9836795 0.65 CYP3A4 (0.42) —
SCHEMBL28565939 0.63 TDP1 (0.41) —
SCHEMBL7894600 0.62 TDP1 (0.38) —
SCHEMBL7929412 0.62 TDP1 (0.39) —

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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