SCHEMBL31479425

SCHEMBL31479425

CC(C)N(CC(F)F)C(=O)c1cc(F)ccc1-c1cc2cnn(C)c2cc1C1CCNC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 1/20 0.36
HDAC4 P56524 1/20 0.33
FASN P49327 4/20 0.32
KDM1A O60341 1/20 0.32
HTR2A P28223 3/20 0.32
HTR7 P34969 3/20 0.32
KCNH2 Q12809 1/20 0.32
AKT1 P31749 2/20 0.32
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
GSK3B P49841 1/20 0.31
DRD2 P14416 1/20 0.31
CACNA1H O95180 1/20 0.31
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31

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
SCHEMBL31479101 1.00 MAPK1 (0.36) MAPK1SLC6A2SLC6A4SLC6A3HDAC4
SCHEMBL31479424 0.85 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3AKT1CCNT1
SCHEMBL31479663 0.81 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3CCNT1CDK9
SCHEMBL31478972 0.80 SSTR4 (0.33) SLC6A2SLC6A4SLC6A3HTR2AHTR7
SCHEMBL31479685 0.79 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL31479604 0.79 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL31479846 0.79 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL31479580 0.79 SLC6A2 (0.35) MAPK1SLC6A2SLC6A4SLC6A3CCNT1
SCHEMBL31479465 0.79 SLC6A2 (0.35) MAPK1SLC6A2SLC6A4SLC6A3CCNT1
SCHEMBL31479460 0.77 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3HTR2AHTR7

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