SCHEMBL29320417

SCHEMBL29320417

C=C(c1cccc(-c2ccc(F)c(F)c2)c1)N1CCCC(c2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 2/20 0.41
PARP14 Q460N5 2/20 0.41
PARP10 Q53GL7 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 3/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
HIF1A Q16665 1/20 0.40
TNKS O95271 1/20 0.40
PARP1 P09874 1/20 0.40
HSD11B1 P28845 2/20 0.39
BCL9 O00512 1/20 0.39
CTNNB1 P35222 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL29320583 0.83 BCL9 (0.39) LMNABCL9CTNNB1
SCHEMBL29318781 0.81 BCL9 (0.41) BCL9CTNNB1
SCHEMBL29320372 0.81 BCL9 (0.41) BCL9CTNNB1
SCHEMBL29319614 0.80 BCL9 (0.39) BCL9CTNNB1
SCHEMBL29320312 0.78 BCL9 (0.39) LMNABCL9CTNNB1
SCHEMBL29320294 0.78 BCL9 (0.39) BCL9CTNNB1
SCHEMBL29320518 0.77 BCL9 (0.37) BCL9CTNNB1
SCHEMBL29318865 0.73 DRD3 (0.41) PROKR1ALDH1A1BCL9CTNNB1
SCHEMBL29318784 0.72 BCL9 (0.66) PROKR1BCL9CTNNB1
SCHEMBL30350398 0.72 BCL9 (0.66) PROKR1BCL9CTNNB1

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