SCHEMBL30745461

SCHEMBL30745461

COc1cc(O)c(C(=O)/C=C/c2ccc(N(C)C)cc2)cc1CN1CCNCC1C

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 7/20 0.48
▸ MAOA P21397 6/20 0.48
▸ MEN1 O00255 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ TLR9 Q9NR96 1/20 0.46
▸ MMP9 P14780 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ APP P05067 2/20 0.43

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
SCHEMBL30745449 0.91 ACHE (0.44) MAOBMAOA
SCHEMBL30745437 0.90 MAOB (0.47) MAOBMAOAMEN1MAPTMAPK1
SCHEMBL30745462 0.90 ABCG2 (0.47) MAOB
SCHEMBL30745490 0.90 ACHE (0.54) MAOBMEN1KMT2A
SCHEMBL30745424 0.89 MAOB (0.46) MAOBMAOAMEN1MAPTMAPK1
SCHEMBL30745446 0.86 MAOB (0.44) MAOBMAOAMEN1MAPTMAPK1
SCHEMBL30745483 0.86 MAOB (0.53) MAOBMAOAMEN1MAPTMAPK1
SCHEMBL30745474 0.84 MEN1 (0.47) MAOBMAOAMEN1MAPTMAPK1
SCHEMBL30745468 0.81 MAOB (0.54) MAOBMAOAMEN1MAPTMAPK1
SCHEMBL30745403 0.80 SMN1; SMN2 (0.64) MAOBMAOAMEN1MAPTMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117567303-A Chalcone Mannich base compound, pharmaceutical composition, preparation method and application thereof 安徽中医药大学 2024-02-20 — — CN claimed
CN-117567303-A Chalcone Mannich base compound, pharmaceutical composition, preparation method and application thereof 安徽中医药大学 2024-02-20 — — CN disclosed
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