SCHEMBL30800064

SCHEMBL30800064

O=c1[nH]cc(CSCOc2ccc(Cl)c(Cl)c2)o1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.39
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.35
▸ KDM4E B2RXH2 4/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ MDH2 P40926 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAOB P27338 5/20 0.33
▸ MAOA P21397 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ MRGPRX4 Q96LA9 1/20 0.32
▸ GPR84 Q9NQS5 1/20 0.32
▸ PLAT P00750 1/20 0.31

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
SCHEMBL29128406 1.00 DAO (0.39) DAOPOLBMAPTTDP1L3MBTL1
SCHEMBL30800061 0.85 POLB (0.36) DAOPOLBMAPTTDP1L3MBTL1
SCHEMBL29128462 0.85 POLB (0.36) DAOPOLBMAPTTDP1L3MBTL1
SCHEMBL29128441 0.83 MAOA (0.30) MAOBMAOA
SCHEMBL30799866 0.83 MAOA (0.30) MAOBMAOA
SCHEMBL29128164 0.80 APP (0.33) —
SCHEMBL29128518 0.80 DAO (0.35) DAOPOLBMAPTTDP1ALDH1A1
SCHEMBL29125878 0.79 NOTUM (0.44) DAOPOLBMAPTTDP1L3MBTL1
SCHEMBL30788519 0.79 NOTUM (0.44) DAOPOLBMAPTTDP1L3MBTL1
SCHEMBL30799906 0.79 LYN (0.40) TDP1L3MBTL1ALDH1A1SMN1; 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-117263862-A Phenol-1, 3-oxazole/dihydroimidazole-2-ketone/thioketone compound and synthesis and application thereof 吉首大学 2023-12-22 — — CN disclosed
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