SCHEMBL29128363

SCHEMBL29128363

CCC(Oc1ccccc1)SCc1c[nH]c(=S)[nH]1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ SLC22A4 Q9H015 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ CYB5R3 P00387 1/20 0.30
▸ CYP3A4 P08684 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
SCHEMBL29128322 0.87 SLC22A4 (0.30) SLC22A4
SCHEMBL29128430 0.86 KDM4E (0.33) KDM4ESLC22A4HSD17B10ALDH1A1
SCHEMBL29128228 0.85 — —
SCHEMBL29128548 0.84 L3MBTL1 (0.34) HSD17B10ALDH1A1
SCHEMBL29128307 0.84 KDM4E (0.35) KDM4EGAAGFERSLC22A4ALDH1A1
SCHEMBL29128306 0.84 — —
SCHEMBL29128323 0.83 ALDH1A1 (0.31) ALDH1A1CYB5R3
SCHEMBL29128380 0.82 — —
SCHEMBL29128454 0.81 ADRA2A (0.33) SLC22A4
SCHEMBL29128288 0.81 APP (0.32) —

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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