SCHEMBL30745446

SCHEMBL30745446

COc1cc(O)c(C(=O)/C=C/c2ccc(N(C)C)cc2)cc1CN1CCNCC1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 10/20 0.44
▸ MAOA P21397 9/20 0.44
▸ APP P05067 5/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ TLR9 Q9NR96 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL30745429 0.92 SMN1; SMN2 (0.42) MAOBMAOAAPPMAPTMAPK1
SCHEMBL30745484 0.91 ACHE (0.49) MAOBAPPMEN1MAPK1KMT2A
SCHEMBL30745505 0.91 ABCG2 (0.42) MAOBAPPMAPK1SMN1; SMN2
SCHEMBL30745437 0.90 MAOB (0.47) MAOBMAOAAPPMEN1MAPT
SCHEMBL30745424 0.88 MAOB (0.46) MAOBMAOAAPPMEN1MAPT
SCHEMBL30745461 0.86 MAOB (0.48) MAOBMAOAAPPMEN1MAPT
SCHEMBL30745502 0.85 MAPT (0.42) MAOBMAOAAPPMEN1MAPT
SCHEMBL30745483 0.81 MAOB (0.53) MAOBMAOAMEN1MAPTMAPK1
SCHEMBL30745442 0.81 ACHE (0.43) MAOBMAOAAPPSMN1; SMN2
SCHEMBL30745414 0.80 ACHE (0.52) MAOBMEN1KMT2ASMN1; SMN2

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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