SCHEMBL31398281

SCHEMBL31398281

COc1ccc(CN2C(=O)C(CCCl)Cc3cc(Br)ccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
MAPT P10636 3/20 0.43
TP53 P04637 1/20 0.43
PARK7 Q99497 1/20 0.43
CMA1 P23946 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
MDH2 P40926 1/20 0.40
CHRM5 P08912 1/20 0.40
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ACHE P22303 1/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
MEN1 O00255 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
SCHEMBL31398270 0.91 MAPT (0.43) POLBMAPTTP53PARK7CMA1
SCHEMBL28978976 0.86 CHRM5 (0.41) CMA1GSK3AGSK3BCHRM5
SCHEMBL30293238 0.86 CHRM5 (0.41) CMA1GSK3AGSK3BCHRM5
SCHEMBL30100736 0.84 L3MBTL1 (0.50) TP53CMA1GSK3AGSK3BKMT2A
SCHEMBL14941450 0.84 L3MBTL1 (0.50) TP53CMA1GSK3AGSK3BKMT2A
SCHEMBL31398271 0.84 PARK7 (0.46) POLBMAPTTP53PARK7CMA1
SCHEMBL26088987 0.78 HDAC1 (0.65) POLBMAPTPARK7CMA1HDAC1
SCHEMBL2675704 0.78 ACHE (0.45) MAPTCHRM5LMNASMN1; SMN2ACHE
SCHEMBL28978974 0.77 PTPN1 (0.41) PARK7CMA1GSK3AGSK3BCHRM5
SCHEMBL30293241 0.77 PTPN1 (0.41) PARK7CMA1GSK3AGSK3BCHRM5

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119371412-A CYP11B2 inhibitor compound, pharmaceutical composition and application thereof 长春金赛药业有限责任公司 2025-01-28 CN disclosed