SCHEMBL31479832

SCHEMBL31479832

CCN(C(=O)c1cc(F)ccc1-c1cc(Cl)cn2c(C)ncc12)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 13/20 0.40
HCRTR2 O43614 13/20 0.40
GRIN2B Q13224 3/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNH2 Q12809 1/20 0.33
SCN9A Q15858 2/20 0.33
TGFBR1 P36897 1/20 0.33

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
SCHEMBL31479031 0.91 GRIN2B (0.35) HCRTR1HCRTR2GRIN2BSCN9ATGFBR1
SCHEMBL31479205 0.90 HCRTR1 (0.40) HCRTR1HCRTR2GRIN2BMEN1KMT2A
SCHEMBL31479169 0.88 HCRTR1 (0.39) HCRTR1HCRTR2GRIN2BMEN1KMT2A
SCHEMBL31479125 0.85 HCRTR1 (0.39) HCRTR1HCRTR2MEN1KMT2AKCNH2
SCHEMBL31479417 0.83 HCRTR1 (0.37) HCRTR1HCRTR2MEN1KMT2AKCNH2
SCHEMBL31479294 0.83 HCRTR1 (0.36) HCRTR1HCRTR2MEN1KMT2AKCNH2
SCHEMBL31479296 0.83 HCRTR1 (0.36) HCRTR1HCRTR2MEN1KMT2AKCNH2
SCHEMBL31478986 0.82 MEN1 (0.36) HCRTR1HCRTR2MEN1KMT2AKCNH2
SCHEMBL31479756 0.81 HCRTR1 (0.36) HCRTR1HCRTR2MEN1KMT2AKCNH2
SCHEMBL31479527 0.81 TSHR (0.41) GRIN2BMEN1KMT2A

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