SCHEMBL30956066

SCHEMBL30956066

Brc1ccccc1SCc1coc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 5/20 0.41
▸ CA2 P00918 2/20 0.40
▸ MAOA P21397 2/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ LMNA P02545 1/20 0.36
▸ CYP17A1 P05093 1/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ IL4I1 Q96RQ9 1/20 0.35
▸ DRD2 P14416 2/20 0.35
▸ DRD3 P35462 2/20 0.35
▸ PSMB8 P28062 1/20 0.35
▸ PSMB5 P28074 1/20 0.35
▸ DRD4 P21917 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA9 Q16790 1/20 0.33

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 0.81 CYP1A2 (0.43) MAOBCA2LMNAIL4I1
SCHEMBL30956070 0.81 PKM (0.42) MAOBCA2LMNACYP17A1CYP19A1
SCHEMBL30956084 0.78 PSMB5 (0.46) MAOBCA2PSMB8PSMB5
SCHEMBL30956071 0.76 CA2 (0.41) MAOBCA2MAOACYP17A1CYP19A1
SCHEMBL30956082 0.74 MAOB (0.41) MAOBCA2MAOALMNAIL4I1
SCHEMBL30956105 0.73 CA2 (0.36) MAOBCA2LMNADRD2DRD3
SCHEMBL30956089 0.72 CYP11B1 (0.51) MAOBCA2CYP17A1CYP19A1CYP11B1
SCHEMBL30956079 0.71 HSD17B3 (0.49) MAOBCA2MAOACYP17A1CYP19A1
SCHEMBL3281151 0.70 MAOB (0.53) MAOBCA2MAOACYP17A1CYP19A1
SCHEMBL21028526 0.69 MAOB (0.49) MAOBCA2MAOACYP17A1CYP19A1

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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