SCHEMBL31478951

SCHEMBL31478951

CCS(=O)(=O)NC1CCC(CN2CCC(c3cc(-c4ccc(F)cc4C(=O)N(CC(F)F)C(C)C)c4cnccn34)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KCNH2 Q12809 1/20 0.47
HTR2A P28223 3/20 0.37
DRD3 P35462 3/20 0.37
CCR5 P51681 4/20 0.33
ACKR3 P25106 5/20 0.33
CYP3A4 P08684 1/20 0.31
HTR4 Q13639 1/20 0.31
CASP3 P42574 1/20 0.30
CDK9 P50750 1/20 0.30
CASP7 P55210 1/20 0.30
MC4R P32245 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
SCHEMBL31479144 0.95 MEN1 (0.46) MEN1KMT2AKCNH2HTR2ADRD3
SCHEMBL31479270 0.90 MEN1 (0.47) MEN1KMT2AKCNH2HTR2ADRD3
SCHEMBL31479242 0.83 MEN1 (0.45) MEN1KMT2AKCNH2HTR2ADRD3
SCHEMBL31479473 0.82 PLAT (0.33) CASP3CDK9CASP7MC4R
SCHEMBL31479901 0.80 GPR119 (0.40)
SCHEMBL31479547 0.80 GPBAR1 (0.33) MC4R
SCHEMBL31479610 0.78 MEN1 (0.51) MEN1KMT2AKCNH2HTR2ADRD3
SCHEMBL31479645 0.78 MEN1 (0.51) MEN1KMT2AKCNH2HTR2ADRD3
SCHEMBL31479025 0.77 MEN1 (0.43) MEN1KMT2AKCNH2HTR2ADRD3
SCHEMBL31479651 0.76 GPBAR1 (0.41) CDK9MC4R

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