SCHEMBL29128290

SCHEMBL29128290

O=c1[nH]cc(CSCC(I)C(I)Oc2ccccc2)[nH]1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.33
▸ PABPC1 P11940 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ DPYD Q12882 1/20 0.32

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
SCHEMBL29128377 0.85 KDM4E (0.32) —
SCHEMBL29128253 0.80 DPYD (0.34) USP2PABPC1TDP1L3MBTL1ALDH1A1
SCHEMBL29128480 0.78 USP2 (0.31) USP2PABPC1TDP1L3MBTL1ALDH1A1
SCHEMBL29128492 0.75 ALDH1A1 (0.34) USP2PABPC1TDP1L3MBTL1ALDH1A1
SCHEMBL29128584 0.75 USP2 (0.36) USP2PABPC1TDP1L3MBTL1ALDH1A1
SCHEMBL29128548 0.72 L3MBTL1 (0.34) USP2PABPC1TDP1L3MBTL1ALDH1A1
SCHEMBL29128505 0.72 PPARG (0.36) USP2PABPC1TDP1L3MBTL1ALDH1A1
SCHEMBL29128546 0.71 KCNA3 (0.41) USP2PABPC1TDP1L3MBTL1ALDH1A1
SCHEMBL29128207 0.70 RAB9A (0.45) USP2PABPC1TDP1L3MBTL1ALDH1A1
SCHEMBL29128529 0.69 DAO (0.50) USP2PABPC1TDP1L3MBTL1ALDH1A1

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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