SCHEMBL30956070

SCHEMBL30956070

Fc1ccccc1SCc1coc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ NCOA2 Q15596 1/20 0.42
▸ NCOA1 Q15788 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MAOB P27338 1/20 0.41
▸ CA2 P00918 1/20 0.40
▸ NPC1 O15118 4/20 0.37
▸ RAB9A P51151 4/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ CASP3 P42574 2/20 0.37
▸ SENP8 Q96LD8 2/20 0.37
▸ SENP7 Q9BQF6 2/20 0.37
▸ SENP6 Q9GZR1 2/20 0.37

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) LMNAMAPTTSHRNPSR1MAOB
SCHEMBL30956066 0.81 MAOB (0.41) LMNAMAOBCA2PSMB5CYP17A1
SCHEMBL30956084 0.78 PSMB5 (0.46) MAPTMAOBCA2SMN1; SMN2ALDH1A1
SCHEMBL30956071 0.76 CA2 (0.41) MAOBCA2PSMB5CYP17A1CYP19A1
SCHEMBL30956082 0.74 MAOB (0.41) LMNAMAPTTSHRMAOBCA2
SCHEMBL30956105 0.73 CA2 (0.36) LMNAMAPTMAOBCA2NPC1
SCHEMBL30956089 0.72 CYP11B1 (0.51) MAPTNPSR1MAOBCA2NPC1
SCHEMBL30956079 0.71 HSD17B3 (0.49) MAPTMAOBCA2NPC1RAB9A
SCHEMBL27992811 0.70 MAOB (0.53) MAOBCA2PSMB5CYP17A1CYP19A1
SCHEMBL21028526 0.69 MAOB (0.49) MAOBCA2PSMB5CYP17A1CYP19A1

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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