SCHEMBL30701715

SCHEMBL30701715

COC(=O)c1c(N(Cc2ccc(C(C)C)cc2)C(C)=O)sc2cc(O)ccc12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 8/20 0.39
▸ ESR2 Q92731 6/20 0.39
▸ LMNA P02545 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ NLRP3 Q96P20 1/20 0.34
▸ MAPT P10636 3/20 0.34
▸ TSPO P30536 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ THRB P10828 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ PKM P14618 1/20 0.32

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
SCHEMBL24682964 1.00 ESR1 (0.39) ESR1ESR2LMNAMEN1KMT2A
SCHEMBL24683189 0.89 ESR1 (0.43) ESR1ESR2MAPTTSPOALDH1A1
SCHEMBL29799959 0.89 ESR1 (0.43) ESR1ESR2MAPTTSPOALDH1A1
SCHEMBL29799890 0.88 ESR1 (0.39) ESR1ESR2MEN1KMT2AMAPT
SCHEMBL24683210 0.88 ESR1 (0.39) ESR1ESR2MEN1KMT2AMAPT
SCHEMBL24682178 0.88 MAPT (0.43) ESR1ESR2LMNAMEN1KMT2A
SCHEMBL29800041 0.88 MAPT (0.43) ESR1ESR2LMNAMEN1KMT2A
SCHEMBL24683177 0.85 MAPK8 (0.41) ESR1ESR2LMNAMEN1KMT2A
SCHEMBL24682171 0.85 ESR1 (0.43) ESR1ESR2MEN1KMT2ANLRP3
SCHEMBL30664715 0.85 ESR1 (0.43) ESR1ESR2MEN1KMT2ANLRP3

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-117222630-A 2-acetamido-6-hydroxy-benzothiophene derivatives having antiviral activity OTC制药公司(JSC) 2023-12-12 — — CN disclosed
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