SCHEMBL30956084

SCHEMBL30956084

COc1ccccc1SCc1coc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 5/20 0.46
▸ MAOB P27338 2/20 0.42
▸ CA2 P00918 1/20 0.40
▸ PDE10A Q9Y233 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MTNR1A P48039 1/20 0.39
▸ MTNR1B P49286 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PSMB8 P28062 1/20 0.37
▸ CNR2 P34972 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL30956091 0.78 CYP1A2 (0.43) MAOBCA2ALDH1A1MAPT
SCHEMBL30956070 0.78 PKM (0.42) PSMB5MAOBCA2ALDH1A1MAPT
SCHEMBL30956066 0.78 MAOB (0.41) PSMB5MAOBCA2PSMB8
SCHEMBL30956086 0.77 MAOB (0.54) PSMB5MAOBCA2ALDH1A1MAPT
SCHEMBL30956071 0.75 CA2 (0.41) PSMB5MAOBCA2PSMB8
SCHEMBL30956099 0.74 PSMB5 (0.46) PSMB5MAOBMTNR1AMTNR1BMAPT
SCHEMBL30956082 0.73 MAOB (0.41) MAOBCA2PDE10AALDH1A1MAPT
SCHEMBL31744579 0.72 PSMB5 (0.49) PSMB5MAOBCA2PDE10AALDH1A1
SCHEMBL6408649 0.70 MAOB (0.50) MAOBCA2PDE10AALDH1A1MAPT
SCHEMBL29955292 0.70 ENPP2 (0.55) CA2MTNR1AMTNR1BMAPTKMT2A

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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