SCHEMBL31479263

SCHEMBL31479263

CCN(C(=O)c1cc(F)ccc1-c1cc(Cl)cnc1CN)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 12/20 0.41
HCRTR2 O43614 12/20 0.41
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNH2 Q12809 1/20 0.35
GPBAR1 Q8TDU6 2/20 0.33
CASP3 P42574 1/20 0.32
PTGER4 P35408 2/20 0.32
GCGR P47871 1/20 0.32
PTGER2 P43116 1/20 0.32

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
SCHEMBL31479689 0.83 HCRTR1 (0.40) HCRTR1HCRTR2MEN1KMT2ACASP3
SCHEMBL31479982 0.78 HCRTR1 (0.42) HCRTR1HCRTR2MEN1KMT2AKCNH2
SCHEMBL31479832 0.77 HCRTR1 (0.40) HCRTR1HCRTR2MEN1KMT2AKCNH2
SCHEMBL31479205 0.76 HCRTR1 (0.40) HCRTR1HCRTR2MEN1KMT2AKCNH2
SCHEMBL31479308 0.75 HCRTR1 (0.39) HCRTR1HCRTR2MEN1KMT2AKCNH2
SCHEMBL31479169 0.74 HCRTR1 (0.39) HCRTR1HCRTR2MEN1KMT2AKCNH2
SCHEMBL31479558 0.73 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL20846978 0.72 HCRTR1 (0.40) HCRTR1HCRTR2CASP3
SCHEMBL31619787 0.71 KEAP1 (0.50) HCRTR1HCRTR2CASP3
SCHEMBL31479160 0.70 HCRTR1 (0.41) HCRTR1HCRTR2MEN1KMT2AKCNH2

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