SCHEMBL30956083

SCHEMBL30956083

Clc1cccc(NCc2coc3ccccc23)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.80
▸ MAOA P21397 1/20 0.52
▸ CA2 P00918 4/20 0.48
▸ CA1 P00915 3/20 0.45
▸ CA12 O43570 3/20 0.45
▸ CA9 Q16790 3/20 0.45
▸ KDM4C Q9H3R0 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ PLA2G1B P04054 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ ATG4B Q9Y4P1 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MAPT P10636 2/20 0.42

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
SCHEMBL30956076 0.85 MAOB (0.60) MAOBMAOACA2CA1CA12
SCHEMBL30787481 0.77 MAOB (0.75) MAOBMAOACA2CA1CA12
SCHEMBL19198638 0.75 KDM4C (0.57) MAOBMAOACA2CA1CA12
SCHEMBL30787524 0.75 MAOB (0.73) MAOBMAOACA2CA1CA12
SCHEMBL632689 0.74 KCNJ5 (0.60) MAOBKDM4EALDH1A1GAAPLA2G1B
SCHEMBL30787457 0.74 MAOB (0.76) MAOBMAOACA2CA1CA12
SCHEMBL30918025 0.74 FADS1 (0.59) MAOBKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL30956090 0.73 MAOB (0.59) MAOBMAOACA2CA1CA12
SCHEMBL30167103 0.73 MAOB (0.79) MAOBMAOACA2CA1CA12
SCHEMBL28902190 0.73 MAOB (0.79) MAOBMAOACA2CA1CA12

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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