SCHEMBL29322336

SCHEMBL29322336

CC(C)c1ccc(CNC(=O)N2CCCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
MEN1 O00255 3/20 0.54
HRH3 Q9Y5N1 2/20 0.52
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
BCL9 O00512 1/20 0.50
CTNNB1 P35222 1/20 0.50
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 1/20 0.49
NPC1 O15118 3/20 0.49
EPHX2 P34913 1/20 0.48
FAAH O00519 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
ALOX12 P18054 1/20 0.47

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
SCHEMBL30677754 0.83 KMT2A (0.60) KMT2AMEN1HRH3RAB9ASMN1; SMN2
SCHEMBL23252438 0.81 KMT2A (0.55) KMT2AMEN1HRH3RAB9AKDM4E
SCHEMBL5217325 0.80 KDM4E (0.68) KMT2AMEN1HRH3SMN1; SMN2ALDH1A1
SCHEMBL6559744 0.80 KDM4E (0.68) KMT2AMEN1HRH3SMN1; SMN2ALDH1A1
SCHEMBL3126965 0.78 NPC1 (0.57) KMT2AMEN1HRH3RAB9ASMN1; SMN2
SCHEMBL8225709 0.78 MEN1 (0.55) KMT2AMEN1HRH3ALDH1A1KDM4E
SCHEMBL4197501 0.78 KDM4E (0.69) KMT2AMEN1HRH3SMN1; SMN2ALDH1A1
SCHEMBL5146467 0.77 TPSAB1 (0.50) KMT2AMEN1HRH3RAB9AKDM4E
SCHEMBL29322550 0.77 SMN1; SMN2 (0.64) KMT2AMEN1HRH3RAB9ASMN1; SMN2
SCHEMBL5740992 0.77 HRH3 (0.59) KMT2AMEN1HRH3ALDH1A1KDM4E

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