SCHEMBL29128307

SCHEMBL29128307

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ SLC22A4 Q9H015 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.31
▸ CYB5R3 P00387 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ MTNR1A P48039 1/20 0.30
▸ MTNR1B P49286 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL29128352 0.88 SLC22A4 (0.32) SLC22A4ALDH1A1
SCHEMBL29128327 0.86 SLC22A4 (0.32) SLC22A4
SCHEMBL29128369 0.85 PPARG (0.36) SLC22A4CYP3A4MEN1KMT2A
SCHEMBL29128216 0.84 MAPK1 (0.36) KDM4ESLC22A4ALDH1A1
SCHEMBL29128363 0.84 KDM4E (0.33) KDM4EGAAGFERSLC22A4ALDH1A1
SCHEMBL29128469 0.81 SLC22A4 (0.32) SLC22A4
SCHEMBL29128445 0.81 SLC22A4 (0.32) SLC22A4
SCHEMBL29128575 0.80 SLC22A4 (0.33) SLC22A4
SCHEMBL29128509 0.80 SLC22A4 (0.31) SLC22A4
SCHEMBL29125804 0.75 ALDH1A1 (0.36) KDM4EGAAALDH1A1

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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