SCHEMBL30745441

SCHEMBL30745441

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ABCG2 Q9UNQ0 3/20 0.43
▸ ABCB1 P08183 2/20 0.40
▸ AR P10275 2/20 0.39
▸ CXCL12 P48061 3/20 0.39
▸ CXCR4 P61073 1/20 0.39
▸ KDR P35968 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 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
SCHEMBL30745471 0.92 MAPT (0.46) MAOBMAPTMEN1LMNAKMT2A
SCHEMBL30745486 0.92 MAOB (0.45) MAOBMAPTMEN1LMNAKMT2A
SCHEMBL30745444 0.92 MAOB (0.46) MAOBMAPTMEN1LMNAKMT2A
SCHEMBL30745480 0.90 MEN1 (0.44) MAOBMAPTMEN1LMNAKMT2A
SCHEMBL30745439 0.88 MAOB (0.48) MAOBMAPTMEN1LMNAKMT2A
SCHEMBL30745450 0.88 MAPT (0.43) MAOBMAPTMEN1LMNAKMT2A
SCHEMBL30745469 0.84 ABCG2 (0.44) MAOBABCG2ARCXCL12CXCR4
SCHEMBL30745489 0.84 MAOB (0.47) MAOBMAPTMEN1LMNAKMT2A
SCHEMBL30745435 0.83 MAOB (0.46) MAOBMAPTMEN1LMNAKMT2A
SCHEMBL30745496 0.82 MAOB (0.53) MAOBMAPTMEN1LMNAKMT2A

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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