SCHEMBL31479595

SCHEMBL31479595

CCN(C(=O)c1cc(F)ccc1-c1cc(N2CC(NCC3CCC(NS(=O)(=O)CC)CC3)C2)cc2c1cnn2C)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KCNH2 Q12809 1/20 0.44
HTR2A P28223 1/20 0.34
DRD3 P35462 1/20 0.34
TRPV1 Q8NER1 1/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
NPY5R Q15761 2/20 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
SCHEMBL31479882 0.88 KDM1A (0.36) MEN1KMT2AKCNH2DRD3TRPV1
SCHEMBL31479895 0.82 KCNH2 (0.49) MEN1KMT2AKCNH2HTR2ADRD3
SCHEMBL31479324 0.82 HCRTR1 (0.35) MEN1KMT2AKCNH2HTR2ATRPV1
SCHEMBL31479351 0.81 MEN1 (0.34) MEN1KMT2AKCNH2NPY5R
SCHEMBL31479288 0.80 ENPP2 (0.36) MEN1KMT2AKCNH2TRPV1HCRTR1
SCHEMBL31479897 0.79 HCRTR1 (0.34) MEN1KMT2AKCNH2HTR2ATRPV1
SCHEMBL31479603 0.79 MEN1 (0.54) MEN1KMT2AKCNH2HTR2ADRD3
SCHEMBL31479025 0.78 MEN1 (0.43) MEN1KMT2AKCNH2HTR2ADRD3
SCHEMBL31478977 0.78 KCNH2 (0.49) MEN1KMT2AKCNH2HTR2ADRD3
SCHEMBL31479210 0.78 KCNH2 (0.49) MEN1KMT2AKCNH2HTR2ADRD3

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