SCHEMBL30956079

SCHEMBL30956079

c1csc(SCc2coc3ccccc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B3 P37058 1/20 0.49
▸ MAOB P27338 3/20 0.41
▸ CA2 P00918 1/20 0.39
▸ CYP17A1 P05093 1/20 0.38
▸ CYP19A1 P11511 1/20 0.38
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ FBP1 P09467 1/20 0.36
▸ IL4I1 Q96RQ9 1/20 0.35
▸ PSMB8 P28062 1/20 0.34
▸ PSMB5 P28074 1/20 0.34
▸ HPGD P15428 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAPT P10636 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
SCHEMBL30956089 0.74 CYP11B1 (0.51) HSD17B3MAOBCA2CYP17A1CYP19A1
SCHEMBL30956091 0.71 CYP1A2 (0.43) MAOBCA2ALDH1A1NPC1RAB9A
SCHEMBL30956070 0.71 PKM (0.42) MAOBCA2CYP17A1CYP19A1CYP11B1
SCHEMBL30956066 0.71 MAOB (0.41) MAOBCA2CYP17A1CYP19A1CYP11B1
SCHEMBL30956071 0.69 CA2 (0.41) MAOBCA2CYP17A1CYP19A1CYP11B1
SCHEMBL30956081 0.68 CA2 (0.46) MAOBCA2CYP17A1CYP19A1CYP11B1
SCHEMBL30956074 0.68 MAOB (0.45) MAOBCA2CYP17A1CYP19A1CYP11B1
SCHEMBL21028526 0.68 MAOB (0.49) MAOBCA2CYP17A1CYP19A1CYP11B1
SCHEMBL30956086 0.68 MAOB (0.54) MAOBCA2ALDH1A1PSMB5MAOA
SCHEMBL3047534 0.68 HPGD (0.50) CA2ALDH1A1NPC1RAB9ASMN1; SMN2

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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