SCHEMBL29320255

SCHEMBL29320255

C=C(c1cccc(-c2ccc(F)c(F)c2)c1)N1CCCC(c2cccc(CC(C)(C)C(=C)NSc3ccc(C(F)(F)F)cc3)c2)C1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 7/20 0.35
CTNNB1 P35222 7/20 0.35
PROKR1 Q8TCW9 2/20 0.33
DRD3 P35462 4/20 0.33
DRD2 P14416 3/20 0.33
DRD1 P21728 1/20 0.31
DRD4 P21917 1/20 0.31
DRD5 P21918 1/20 0.31
RHOA P61586 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP3A4 P08684 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
SCHEMBL29319614 0.93 BCL9 (0.39) BCL9CTNNB1DRD3DRD2DRD1
SCHEMBL29320243 0.88 BCL9 (0.35) BCL9CTNNB1DRD3DRD2DRD1
SCHEMBL29320277 0.85 CASR (0.33) BCL9CTNNB1DRD3DRD2DRD1
SCHEMBL29320372 0.82 BCL9 (0.41) BCL9CTNNB1DRD3DRD2DRD1
SCHEMBL29318781 0.80 BCL9 (0.41) BCL9CTNNB1DRD3DRD2DRD1
SCHEMBL29320312 0.80 BCL9 (0.39) BCL9CTNNB1DRD3DRD2DRD1
SCHEMBL29320294 0.80 BCL9 (0.39) BCL9CTNNB1DRD3DRD2DRD1
SCHEMBL29320518 0.78 BCL9 (0.37) BCL9CTNNB1DRD3DRD2DRD1
SCHEMBL29320583 0.77 BCL9 (0.39) BCL9CTNNB1DRD3DRD2DRD1
SCHEMBL29320417 0.74 PROKR1 (0.41) BCL9CTNNB1PROKR1

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