SCHEMBL31479424

SCHEMBL31479424

CC(C)N(CC(F)F)C(=O)c1cc(F)ccc1-c1cc([C@H]2CCNC2)cc2c1cnn2C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.35
SLC6A4 P31645 4/20 0.35
SLC6A3 Q01959 1/20 0.35
EZH2 Q15910 1/20 0.32
EZH1 Q92800 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
MAPK14 Q16539 3/20 0.32
POLQ O75417 1/20 0.32
AKT1 P31749 5/20 0.31
SSTR4 P31391 1/20 0.31
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
TP53 P04637 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
SCHEMBL31479663 0.96 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3TRPV1MAPK14
SCHEMBL31478972 0.94 SSTR4 (0.33) SLC6A2SLC6A4SLC6A3TRPV1MAPK14
SCHEMBL31479544 0.92 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3EZH2EZH1
SCHEMBL31479110 0.92 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3EZH2EZH1
SCHEMBL31479460 0.92 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3EZH2EZH1
SCHEMBL31479685 0.86 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3MAPK14SSTR4
SCHEMBL31479846 0.86 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3MAPK14SSTR4
SCHEMBL31479604 0.86 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3MAPK14SSTR4
SCHEMBL31479670 0.86 HCRTR1 (0.36) TRPV1MAPK14SSTR4
SCHEMBL31479101 0.85 MAPK1 (0.36) SLC6A2SLC6A4SLC6A3AKT1CCNT1

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