SCHEMBL31479982

SCHEMBL31479982

CCN(C(=O)c1cc(F)ccc1-c1cc(Cl)cc(CN)n1)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 14/20 0.42
HCRTR2 O43614 14/20 0.42
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
SCN9A Q15858 1/20 0.32
RORC P51449 1/20 0.31
RORB Q92753 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KCNH2 Q12809 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
SCHEMBL31479286 0.87 HCRTR1 (0.40) HCRTR1HCRTR2RORCRORB
SCHEMBL31479558 0.86 HCRTR1 (0.40) HCRTR1HCRTR2PSEN1PSEN2APH1B
SCHEMBL31479873 0.84 HCRTR1 (0.41) HCRTR1HCRTR2PSEN1PSEN2APH1B
SCHEMBL31479434 0.83 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL31478959 0.82 HCRTR1 (0.39) HCRTR1HCRTR2SCN9ARORCRORB
SCHEMBL31479023 0.81 HCRTR1 (0.39) HCRTR1HCRTR2PSEN1PSEN2APH1B
SCHEMBL31479844 0.80 HCRTR1 (0.38) HCRTR1HCRTR2PSEN1PSEN2APH1B
SCHEMBL31479263 0.78 HCRTR1 (0.41) HCRTR1HCRTR2MEN1KMT2AKCNH2
SCHEMBL31479626 0.71 F2R (0.41) HCRTR1HCRTR2
SCHEMBL31619787 0.71 KEAP1 (0.50) HCRTR1HCRTR2

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