SCHEMBL31478952

SCHEMBL31478952

CCN(C(=O)c1ccccc1-c1cc(C2CCN(CC3CCC(NS(=O)(=O)CC)CC3)C2)nc2c1cnn2C)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KCNH2 Q12809 1/20 0.42
HTR2A P28223 3/20 0.36
DRD3 P35462 3/20 0.36
DRD2 P14416 2/20 0.36
PIK3CD O00329 3/20 0.33
PIK3R1 P27986 3/20 0.33
MELK Q14680 4/20 0.31
LIPG Q9Y5X9 1/20 0.30
F10 P00742 1/20 0.30

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
SCHEMBL31478977 0.91 KCNH2 (0.49) MEN1KMT2AKCNH2HTR2ADRD3
SCHEMBL31479210 0.91 KCNH2 (0.49) MEN1KMT2AKCNH2HTR2ADRD3
SCHEMBL31479313 0.91 KCNH2 (0.49) MEN1KMT2AKCNH2HTR2ADRD3
SCHEMBL31479231 0.81 MEN1 (0.49) MEN1KMT2AKCNH2HTR2ADRD3
SCHEMBL31479357 0.79 KDM4E (0.38) KMT2A
SCHEMBL31479895 0.79 KCNH2 (0.49) MEN1KMT2AKCNH2HTR2ADRD3
SCHEMBL31479419 0.79 MEN1 (0.49) MEN1KMT2AKCNH2HTR2ADRD3
SCHEMBL31479874 0.78 TRPV3 (0.40) PIK3CD
SCHEMBL31478961 0.77 CKS1B (0.36) DRD2LIPG
SCHEMBL31479856 0.73 CHEK1 (0.34) KMT2AKCNH2

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-2025067111-A1 MENIN-MLL INTERACTION INHIBITOR AND PREPARATION METHOD THEREFOR, AND APPLICATION 苏州必扬医药科技有限公司 2025-04-03 WO disclosed