SCHEMBL30745480

SCHEMBL30745480

COc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)c(O)c1CN1CCNCC1CCO

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ USP2 O75604 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ TLR9 Q9NR96 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MAOB P27338 7/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAOA P21397 4/20 0.42
▸ ABCB1 P08183 1/20 0.41
▸ MMP9 P14780 1/20 0.38

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
SCHEMBL30745445 0.92 MEN1 (0.46) MEN1MAPTKMT2AUSP2MAPK1
SCHEMBL30745471 0.91 MAPT (0.46) MEN1MAPTKMT2AMAPK1L3MBTL1
SCHEMBL30745441 0.90 MAOB (0.45) MEN1MAPTKMT2AMAPK1MAOB
SCHEMBL30745486 0.90 MAOB (0.45) MEN1MAPTKMT2AMAPK1MAOB
SCHEMBL30745474 0.88 MEN1 (0.47) MEN1MAPTKMT2AUSP2MAPK1
SCHEMBL30745502 0.88 MAPT (0.42) MEN1MAPTKMT2AUSP2MAPK1
SCHEMBL30745424 0.85 MAOB (0.46) MEN1MAPTKMT2AUSP2MAPK1
SCHEMBL30745443 0.83 MAPT (0.52) MEN1MAPTKMT2AUSP2MAPK1
SCHEMBL30745489 0.82 MAOB (0.47) MEN1MAPTKMT2AMAPK1MAOB
SCHEMBL30745435 0.82 MAOB (0.46) MEN1MAPTKMT2AMAPK1MAOB

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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