SCHEMBL29128323

SCHEMBL29128323

CCC(Oc1ccccc1Cl)SCc1c[nH]c(=S)[nH]1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.31
▸ CYB5R3 P00387 1/20 0.31
▸ ADRA2A P08913 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ ADRA2C P18825 1/20 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
SCHEMBL29128306 0.87 — —
SCHEMBL29128588 0.86 MAPT (0.37) ALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL29128288 0.84 APP (0.32) —
SCHEMBL29128363 0.83 KDM4E (0.33) ALDH1A1CYB5R3
SCHEMBL29128380 0.82 — —
SCHEMBL29128251 0.79 MEN1 (0.32) ALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL29128322 0.78 SLC22A4 (0.30) —
SCHEMBL29128454 0.77 ADRA2A (0.33) ADRA2AADRA2BADRA2C
SCHEMBL29128543 0.77 SLC22A4 (0.30) —
SCHEMBL29128364 0.77 LMNA (0.34) ALDH1A1

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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