SCHEMBL29128476

SCHEMBL29128476

O=c1[nH]cc(CSCCOc2c(I)cccc2I)[nH]1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DPYD Q12882 1/20 0.33
▸ USP2 O75604 1/20 0.30
▸ PABPC1 P11940 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HTT P42858 1/20 0.30

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
SCHEMBL29128339 0.85 USP2 (0.32) USP2PABPC1TDP1L3MBTL1KDM4E
SCHEMBL29128504 0.85 SLC6A4 (0.36) USP2PABPC1TDP1L3MBTL1ALDH1A1
SCHEMBL29128463 0.84 ALDH1A1 (0.32) KDM4EALDH1A1
SCHEMBL29128178 0.81 KDM4E (0.37) DPYDKDM4EALDH1A1MAPTHTT
SCHEMBL29128287 0.80 DPYD (0.30) DPYD
SCHEMBL29128250 0.79 CTSS (0.33) DPYDUSP2PABPC1TDP1L3MBTL1
SCHEMBL29128511 0.78 MAPK1 (0.32) ALDH1A1
SCHEMBL29125758 0.77 TSHR (0.45) KDM4EALDH1A1MAPTHTT
SCHEMBL29128397 0.77 DAO (0.44) DPYDKDM4EALDH1A1
SCHEMBL29128510 0.77 HTT (0.40) TDP1L3MBTL1KDM4EALDH1A1MAPT

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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