SCHEMBL31479288

SCHEMBL31479288

CCN(C(=O)c1cc(F)ccc1-c1cc(N2CC(NC(=O)OC(C)(C)C)C2)cc2c1cnn2C)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.36
PDE2A O00408 1/20 0.34
RET P07949 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNH2 Q12809 1/20 0.33
NR1H2 P55055 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
NTRK1 P04629 1/20 0.32
DPP4 P27487 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
PLK1 P53350 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
RORC P51449 1/20 0.32
KDM4D Q6B0I6 3/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
SYK P43405 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
SCHEMBL31479079 0.93 CKS1B (0.36) RETMEN1KMT2AKCNH2NTRK1
SCHEMBL31479882 0.92 KDM1A (0.36) ENPP2RETMEN1KMT2AKCNH2
SCHEMBL31479324 0.85 HCRTR1 (0.35) MEN1KMT2AKCNH2TRPV1HCRTR1
SCHEMBL31479568 0.83 CKS1B (0.41) RETMEN1KMT2AKCNH2NTRK1
SCHEMBL31479586 0.82 ENPP2 (0.39) ENPP2RETMEN1KMT2AKCNH2
SCHEMBL31479566 0.81 MEN1 (0.42) MEN1KMT2AKCNH2ALOX5APFEN1
SCHEMBL31479897 0.81 HCRTR1 (0.34) MEN1KMT2AKCNH2DPP4TRPV1
SCHEMBL31479852 0.80 GPBAR1 (0.40) ALOX5APFEN1PLK1JAK3
SCHEMBL31479595 0.80 MEN1 (0.44) MEN1KMT2AKCNH2TRPV1HCRTR1
SCHEMBL31479308 0.76 HCRTR1 (0.39) MEN1KMT2AKCNH2HCRTR1HCRTR2

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