SCHEMBL24682179

SCHEMBL24682179

COC(=O)c1c(N(C)Cc2ccccc2)sc2cc(O)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ PKM P14618 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ DYRK1A Q13627 2/20 0.42
▸ ERAP1 Q9NZ08 1/20 0.41
▸ LMNA P02545 3/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ HSP90AA1 P07900 2/20 0.39

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
SCHEMBL24683218 0.89 ESR1 (0.40) MAPTPKMKDM4EHSP90AA1ESR1
SCHEMBL29800041 0.87 MAPT (0.43) MAPTALDH1A1PKMGAADYRK1A
SCHEMBL24682178 0.87 MAPT (0.43) MAPTALDH1A1PKMGAADYRK1A
SCHEMBL24683889 0.84 MAPK8 (0.40) LMNAMAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL29800050 0.81 MAPT (0.42) MAPTALDH1A1PKMGAALMNA
SCHEMBL24683885 0.81 MAPT (0.42) MAPTALDH1A1PKMGAALMNA
SCHEMBL29799959 0.77 ESR1 (0.43) MAPTALDH1A1PKMGAAKDM4E
SCHEMBL24683189 0.77 ESR1 (0.43) MAPTALDH1A1PKMGAAKDM4E
SCHEMBL24682174 0.77 TSPO (0.44) DYRK1AMEN1KMT2AESR1ESR2
SCHEMBL29799804 0.77 TSPO (0.44) DYRK1AMEN1KMT2AESR1ESR2

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
WO-2022173329-A1 2-ACETAMIDO-6-HYDROXY-BENZOTHIOPHENE DERIVATIVES WITH ANTIVIRAL ACTIVITY Акционерное общество "Отисифарм" 2022-08-18 — — WO disclosed
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