SCHEMBL30745451

SCHEMBL30745451

COc1ccc(C(=O)/C=C/c2ccc(F)cc2)c(O)c1CN1CCNCC1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ CTSL P07711 2/20 0.48
▸ ACHE P22303 1/20 0.43
▸ BACE1 P56817 1/20 0.43
▸ ABCB1 P08183 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ PIM3 Q86V86 2/20 0.41
▸ CXCL12 P48061 1/20 0.41
▸ TUBB4A P04350 1/20 0.40
▸ TUBB P07437 1/20 0.40
▸ TUBA3C P0DPH7 1/20 0.40
▸ TUBA1B P68363 1/20 0.40
▸ TUBA4A P68366 1/20 0.40
▸ TUBB4B P68371 1/20 0.40
▸ TUBB3 Q13509 1/20 0.40
▸ TUBB2A Q13885 1/20 0.40

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
SCHEMBL30745494 0.92 MAOB (0.48) MAOBMEN1LMNAKMT2AMAPT
SCHEMBL30745439 0.91 MAOB (0.48) MAOBMEN1LMNAKMT2AMAPT
SCHEMBL30745435 0.90 MAOB (0.46) MAOBMEN1LMNAKMT2AMAPT
SCHEMBL30745474 0.90 MEN1 (0.47) MAOBMEN1LMNAKMT2AMAPT
SCHEMBL30745486 0.88 MAOB (0.45) MAOBMEN1LMNAKMT2AMAPT
SCHEMBL30745456 0.86 MAPT (0.43) MAOBMEN1LMNAKMT2AMAPT
SCHEMBL30745473 0.85 CTSL (0.53) MAOBMEN1LMNAKMT2AMAPT
SCHEMBL30745490 0.83 ACHE (0.54) MAOBMEN1LMNAKMT2ACTSL
SCHEMBL30745489 0.81 MAOB (0.47) MAOBMEN1LMNAKMT2AMAPT
SCHEMBL30745465 0.80 CTSL (0.54) MAOBMEN1LMNAKMT2AMAPT

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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