Sugi Predict

Sugi Predict / Compounds / SCHEMBL29320372

SCHEMBL29320372

SCHEMBL29320372

C=C(c1cccc(-c2ccc(F)c(F)c2)c1)N1CCCC(c2cccc(CC(C)(C)C(=C)N3CCCCC3)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BCL9 O00512 3/20 0.41
▸ CTNNB1 P35222 3/20 0.41
▸ DRD3 P35462 7/20 0.38
▸ DRD2 P14416 5/20 0.38
▸ DRD4 P21917 3/20 0.37
▸ DRD1 P21728 1/20 0.37
▸ DRD5 P21918 1/20 0.37
▸ SIGMAR1 Q99720 3/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ PRCP P42785 1/20 0.33
▸ EBP Q15125 1/20 0.33

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
SCHEMBL29320294 0.94 BCL9 (0.39) BCL9CTNNB1DRD3DRD2DRD4
SCHEMBL29320312 0.94 BCL9 (0.39) BCL9CTNNB1DRD3DRD2DRD4
SCHEMBL29320518 0.88 BCL9 (0.37) BCL9CTNNB1DRD3DRD2DRD4
SCHEMBL29318781 0.87 BCL9 (0.41) BCL9CTNNB1DRD3DRD2DRD4
SCHEMBL29319614 0.84 BCL9 (0.39) BCL9CTNNB1DRD3DRD2DRD4
SCHEMBL29320243 0.82 BCL9 (0.35) BCL9CTNNB1DRD3DRD2DRD4
SCHEMBL29320255 0.82 BCL9 (0.35) BCL9CTNNB1DRD3DRD2DRD4
SCHEMBL29320583 0.82 BCL9 (0.39) BCL9CTNNB1DRD3DRD2DRD4
SCHEMBL29320417 0.81 PROKR1 (0.41) BCL9CTNNB1
SCHEMBL29318865 0.77 DRD3 (0.41) BCL9CTNNB1DRD3DRD2DRD4

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