SCHEMBL30745425

SCHEMBL30745425

COc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)c(O)c1CN(C)C

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.60
MAPT P10636 3/20 0.60
KMT2A Q03164 3/20 0.60
MAPK1 P28482 2/20 0.60
USP2 O75604 1/20 0.60
TLR9 Q9NR96 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
MAOB P27338 11/20 0.58
LMNA P02545 1/20 0.58
MAOA P21397 7/20 0.57
ABCB1 P08183 1/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MMP9 P14780 1/20 0.51
CAPN1 P07384 1/20 0.48
PARP1 P09874 1/20 0.48
APP P05067 1/20 0.48

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
SCHEMBL30745509 0.90 MEN1 (0.56) MEN1MAPTKMT2AMAPK1USP2
SCHEMBL30745426 0.90 MAPT (0.59) MEN1MAPTKMT2AMAPK1USP2
SCHEMBL30745507 0.89 CTSL (0.59) MEN1MAPTKMT2AMAOBLMNA
SCHEMBL30745438 0.89 MAOB (0.58) MEN1MAPTKMT2AMAOBLMNA
SCHEMBL30745500 0.82 MEN1 (0.53) MEN1MAPTKMT2AMAPK1USP2
SCHEMBL30745452 0.81 MEN1 (0.52) MEN1MAPTKMT2AMAPK1USP2
SCHEMBL30745443 0.81 MAPT (0.52) MEN1MAPTKMT2AMAPK1USP2
SCHEMBL30745497 0.81 MAOB (0.61) MEN1MAPTKMT2AMAPK1USP2
SCHEMBL30745454 0.81 MAPT (0.57) MEN1MAPTKMT2AMAPK1USP2
SCHEMBL7188936 0.78 MEN1 (0.67) MEN1MAPTKMT2AMAPK1USP2

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