SCHEMBL29249757

SCHEMBL29249757

BrCCCCCCCCn1c2ccccc2c2cccc(Br)c21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
MAOA P21397 10/20 0.44
MAOB P27338 10/20 0.44
ACHE P22303 3/20 0.44
GRIN1 Q05586 8/20 0.42
GRIN2A Q12879 8/20 0.42
GRIN2B Q13224 8/20 0.42
FABP4 P15090 1/20 0.42
FABP5 Q01469 1/20 0.42
SLC6A4 P31645 2/20 0.40
SLC6A2 P23975 1/20 0.40
HRH1 P35367 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
SCHEMBL6369399 0.84 HDAC1 (0.41) HDAC1HDAC6MAOAMAOBACHE
SCHEMBL25354476 0.84 MAOA (0.59) HDAC1HDAC6MAOAMAOBACHE
SCHEMBL31156397 0.84 MAOA (0.59) HDAC1HDAC6MAOAMAOBACHE
SCHEMBL30576402 0.84 MAOA (0.59) HDAC1HDAC6MAOAMAOBACHE
SCHEMBL18010367 0.84 MAOA (0.59) HDAC1HDAC6MAOAMAOBACHE
SCHEMBL2700651 0.84 MAOA (0.59) HDAC1HDAC6MAOAMAOBACHE
SCHEMBL30274268 0.84 MAOA (0.59) HDAC1HDAC6MAOAMAOBACHE
SCHEMBL4203950 0.84 MAOA (0.59) HDAC1HDAC6MAOAMAOBACHE
SCHEMBL1472359 0.84 MAOA (0.59) HDAC1HDAC6MAOAMAOBACHE
SCHEMBL29473625 0.84 MAOA (0.59) HDAC1HDAC6MAOAMAOBACHE

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-118324687-A Organic compound with large molecular weight and preparation method and application thereof 中国石油化工股份有限公司 2024-07-12 CN disclosed