SCHEMBL29318456

SCHEMBL29318456

CC(C)(Oc1cccc(C2CCCN(C(=O)c3cccc(-c4ccc(F)c(F)c4)c3)C2)c1)C(=O)N1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 17/20 0.53
CTNNB1 P35222 17/20 0.53
PROKR1 Q8TCW9 1/20 0.46
PPARA Q07869 1/20 0.45
ABL1 P00519 1/20 0.43

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
SCHEMBL30498759 1.00 BCL9 (0.53) BCL9CTNNB1PROKR1PPARAABL1
SCHEMBL30498758 1.00 BCL9 (0.53) BCL9CTNNB1PROKR1PPARAABL1
SCHEMBL29320458 0.92 BCL9 (0.54) BCL9CTNNB1PROKR1PPARA
SCHEMBL30498757 0.92 BCL9 (0.54) BCL9CTNNB1PROKR1PPARA
SCHEMBL29320361 0.91 BCL9 (0.53) BCL9CTNNB1PROKR1PPARA
SCHEMBL29321901 0.91 BCL9 (0.46) BCL9CTNNB1PROKR1PPARAABL1
SCHEMBL29318354 0.91 BCL9 (0.53) BCL9CTNNB1PROKR1PPARA
SCHEMBL29320378 0.91 BCL9 (0.53) BCL9CTNNB1PROKR1PPARAABL1
SCHEMBL30498769 0.91 BCL9 (0.53) BCL9CTNNB1PROKR1PPARA
SCHEMBL30350398 0.89 BCL9 (0.66) BCL9CTNNB1PROKR1PPARA

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