SCHEMBL30701682

SCHEMBL30701682

COC(=O)c1c(N(CCc2ccccc2F)C(C)=O)sc2cc(O)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.38
▸ MAPT P10636 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ LMNA P02545 3/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ ESR1 P03372 2/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ HSP90B1 P14625 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ BDKRB1 P46663 1/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.34
▸ PKM P14618 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ ALOX5 P09917 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ PARP15 Q460N3 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
SCHEMBL24683195 1.00 MAOB (0.38) MAOBMAPTTP53LMNAMAPK1
SCHEMBL24682969 0.90 MAOB (0.39) MAOBMAPTLMNAMAPK1ESR1
SCHEMBL30701683 0.90 MAOB (0.39) MAOBMAPTLMNAMAPK1ESR1
SCHEMBL29800050 0.86 MAPT (0.42) MAOBMAPTLMNAMAPK1ESR1
SCHEMBL24683885 0.86 MAPT (0.42) MAOBMAPTLMNAMAPK1ESR1
SCHEMBL24683213 0.81 MAOB (0.40) MAOBMAPTLMNAMAPK1ESR1
SCHEMBL29799904 0.81 MAOB (0.40) MAOBMAPTLMNAMAPK1ESR1
SCHEMBL24683224 0.81 HSP90AA1 (0.39) LMNAHSP90AA1HSP90B1TAAR1PKM
SCHEMBL30664668 0.81 HSP90AA1 (0.39) LMNAHSP90AA1HSP90B1TAAR1PKM
SCHEMBL24683894 0.81 MAOB (0.39) MAOBMAPTMAPK1ESR1TDP1

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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