SCHEMBL29128383

SCHEMBL29128383

CCc1cccc(OCSCc2c[nH]c(=S)[nH]2)c1CC

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC22A4 Q9H015 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.32
▸ PTGS2 P35354 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
SCHEMBL29128230 0.89 L3MBTL1 (0.39) SLC22A4KMT2ATDP1
SCHEMBL29128168 0.87 POLB (0.32) HTR1ATAAR1PTGS2
SCHEMBL29128206 0.77 — —
SCHEMBL29128298 0.76 L3MBTL1 (0.37) KMT2ATDP1
SCHEMBL29128312 0.76 ALDH1A1 (0.37) SLC22A4KMT2ATDP1
SCHEMBL30799842 0.76 ALDH1A1 (0.37) SLC22A4KMT2ATDP1
SCHEMBL29128408 0.75 L3MBTL1 (0.40) TDP1
SCHEMBL29128451 0.75 — —
SCHEMBL29128350 0.74 SOD1 (0.36) KMT2ATDP1
SCHEMBL29128561 0.72 TRPA1 (0.33) KMT2A

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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