SCHEMBL29128251

SCHEMBL29128251

CCC(Oc1ccccc1Cl)SCc1c[nH]c(=S)o1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ALDH1A1 P00352 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
SCHEMBL29128335 0.81 — —
SCHEMBL29128338 0.79 HTR2A (0.34) MEN1KMT2A
SCHEMBL29128323 0.79 ALDH1A1 (0.31) ALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL29128223 0.78 — —
SCHEMBL29128443 0.77 — —
SCHEMBL29128267 0.74 ENPP3 (0.31) —
SCHEMBL29128588 0.74 MAPT (0.37) MEN1KMT2AALDH1A1ADRA2AADRA2B
SCHEMBL29128425 0.73 MAPT (0.36) ALDH1A1
SCHEMBL29128245 0.72 L3MBTL1 (0.40) MEN1KMT2AALDH1A1
SCHEMBL29128181 0.69 ALDH1A1 (0.33) MEN1KMT2AALDH1A1

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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