SCHEMBL29319933

SCHEMBL29319933

CC(C)c1ccc(-c2cccc(SN3CCCC(c4ccccc4)C3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 12/20 0.44
CTNNB1 P35222 12/20 0.44
PPARA Q07869 1/20 0.40
DRD2 P14416 2/20 0.38
DRD1 P21728 2/20 0.38
DRD4 P21917 2/20 0.38
DRD5 P21918 2/20 0.38
DRD3 P35462 2/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL29319911 0.82 BCL9 (0.40) BCL9CTNNB1PPARADRD2DRD1
SCHEMBL29319831 0.82 BCL9 (0.45) BCL9CTNNB1PPARA
SCHEMBL29320162 0.77 BCL9 (0.42) BCL9CTNNB1PPARA
SCHEMBL29320186 0.76 BCL9 (0.39) BCL9CTNNB1PPARADRD2DRD1
SCHEMBL29319187 0.75 BCL9 (0.40) BCL9CTNNB1PPARADRD2DRD1
SCHEMBL23844219 0.70 NOTUM (0.37) DRD2DRD1DRD4DRD5DRD3
SCHEMBL23844174 0.69 NOTUM (0.36) DRD2DRD1DRD4DRD5DRD3
SCHEMBL23183120 0.68 DRD2 (0.55) DRD2DRD1DRD4DRD5DRD3
SCHEMBL4699439 0.68 SLC6A9 (0.43) BCL9CTNNB1DRD2DRD1DRD4
SCHEMBL22795472 0.67 DRD2 (0.54) DRD2DRD1DRD4DRD5DRD3

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