SCHEMBL29128298

SCHEMBL29128298

Fc1ccccc1OCSCc1c[nH]c(=S)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ DAO P14920 1/20 0.35
▸ MEN1 O00255 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ RECQL P46063 1/20 0.33
▸ KDM4E B2RXH2 4/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ PKM P14618 1/20 0.32
▸ KDM5A P29375 1/20 0.31
▸ KDM4C Q9H3R0 1/20 0.31
▸ KDM5B Q9UGL1 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ GFER P55789 1/20 0.31
▸ ALDH1A1 P00352 2/20 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
SCHEMBL29128561 0.87 TRPA1 (0.33) MEN1KMT2AALDH1A1
SCHEMBL29128356 0.84 DAO (0.40) L3MBTL1TDP1DAOSMN1; SMN2KDM5A
SCHEMBL29128230 0.82 L3MBTL1 (0.39) L3MBTL1TDP1MEN1CYP2D6KMT2A
SCHEMBL29128574 0.80 PPARG (0.33) L3MBTL1TDP1CYP1A2CYP2D6CYP2C9
SCHEMBL29128206 0.79 — —
SCHEMBL29128383 0.76 SLC22A4 (0.32) TDP1KMT2A
SCHEMBL29128572 0.75 SLC6A4 (0.33) KDM4EALDH1A1
SCHEMBL29128257 0.74 KDM4E (0.33) L3MBTL1TDP1KDM4ERAB9ASMN1; SMN2
SCHEMBL29128489 0.74 — —
SCHEMBL29128174 0.70 SLC6A2 (0.40) L3MBTL1TDP1DAOKDM4EKDM5A

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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