SCHEMBL29320072

SCHEMBL29320072

C=C(NSc1cccs1)C(C)(C)Cc1cccc(C2CCCN(Sc3cccc(-c4ccc(C(C)C)cc4)c3)C2)c1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 18/20 0.40
CTNNB1 P35222 18/20 0.40
PPARA Q07869 1/20 0.36
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL29320186 0.88 BCL9 (0.39) BCL9CTNNB1PPARADRD2DRD3
SCHEMBL29320162 0.88 BCL9 (0.42) BCL9CTNNB1PPARA
SCHEMBL29320096 0.85 BCL9 (0.45) BCL9CTNNB1PPARA
SCHEMBL29320207 0.83 BCL9 (0.44) BCL9CTNNB1PPARA
SCHEMBL29319911 0.80 BCL9 (0.40) BCL9CTNNB1PPARADRD2DRD3
SCHEMBL29319591 0.80 BCL9 (0.39) BCL9CTNNB1DRD2DRD3
SCHEMBL29320243 0.77 BCL9 (0.35) BCL9CTNNB1DRD2DRD3
SCHEMBL29319831 0.76 BCL9 (0.45) BCL9CTNNB1PPARA
SCHEMBL29319187 0.75 BCL9 (0.40) BCL9CTNNB1PPARADRD2DRD3
SCHEMBL29319933 0.74 BCL9 (0.44) BCL9CTNNB1PPARADRD2DRD3

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
WO-2024145931-A1 SMALL MOLECULE INHIBITOR FOR β-CATENIN/BCL9 PROTEIN-PROTEIN INTERACTION AND USE THEREOF 上海医药工业研究院有限公司 2024-07-11 WO disclosed