SCHEMBL30956086

SCHEMBL30956086

COc1ccc(SCc2coc3ccccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 5/20 0.54
▸ PSMB5 P28074 6/20 0.46
▸ APP P05067 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ MAOA P21397 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TDP1 Q9NUW8 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
SCHEMBL30956099 0.85 PSMB5 (0.46) MAOBPSMB5MAPT
SCHEMBL30956072 0.80 ALDH1A1 (0.41) MAOBPSMB5ALDH1A1MAOACA2
SCHEMBL11729224 0.78 MAOB (0.79) MAOBPSMB5MAPTCA2
SCHEMBL30956089 0.78 CYP11B1 (0.51) MAOBPSMB5MAPTCA2NPSR1
SCHEMBL30956084 0.77 PSMB5 (0.46) MAOBPSMB5ALDH1A1MAPTCA2
SCHEMBL30956090 0.75 MAOB (0.59) MAOBPSMB5ALDH1A1MAPTMAOA
SCHEMBL21449482 0.72 HDAC3 (0.44) MAOBAPPALDH1A1MAPTHTT
SCHEMBL30956063 0.71 MAOB (0.49) MAOBALDH1A1MAPTHTTCA2
SCHEMBL2433694 0.70 APP (0.69) MAOBAPPALDH1A1MAPTHTT
SCHEMBL30956071 0.70 CA2 (0.41) MAOBPSMB5MAOACA2

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-118005692-A Preparation of benzofuran derivative by initiating free radical reaction by superelectron donor with heteroatom as center and application 贵州大学 2024-05-10 — — CN disclosed
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