SCHEMBL29236439

SCHEMBL29236439

NC(=O)Oc1ccc(Cl)c(C#CC2CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CHRNA3 P32297 3/20 0.35
▸ PGK1 P00558 1/20 0.35
▸ PTPN11 Q06124 1/20 0.35
▸ IKBKB O14920 1/20 0.33
▸ HAO1 Q9UJM8 3/20 0.33
▸ ACACB O00763 1/20 0.32
▸ PTGES O14684 1/20 0.32
▸ FFAR1 O14842 1/20 0.31
▸ KIF11 P52732 1/20 0.31
▸ MRGPRX4 Q96LA9 1/20 0.30
▸ PIM1 P11309 2/20 0.30
▸ PIM2 Q9P1W9 2/20 0.30
▸ KCNH2 Q12809 1/20 0.30
▸ PIM3 Q86V86 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
SCHEMBL29236442 0.76 PGK1 (0.36) PGK1PTPN11IKBKBPTGES
SCHEMBL29236521 0.75 MEN1 (0.40) MEN1KMT2APGK1HAO1ACACB
SCHEMBL29236520 0.73 CHRNB2 (0.37) MEN1KMT2ACHRNA3PTPN11IKBKB
SCHEMBL29236681 0.73 MEN1 (0.36) MEN1KMT2AHAO1KIF11
SCHEMBL30966827 0.72 CYP3A4 (0.42) MEN1KMT2APGK1PTPN11IKBKB
SCHEMBL23753577 0.71 MEN1 (0.57) MEN1KMT2ACHRNA3KIF11MRGPRX4
SCHEMBL30947447 0.71 POLB (0.52) MEN1KMT2A
SCHEMBL28890049 0.69 MEN1 (0.53) MEN1KMT2AKIF11
SCHEMBL28688992 0.69 MEN1 (0.53) MEN1KMT2AKIF11
SCHEMBL5260935 0.67 MEN1 (0.52) MEN1KMT2ACHRNA3KIF11KCNH2

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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