SCHEMBL29128317

SCHEMBL29128317

CC(Oc1ccc(Br)c(Br)c1)SCc1c[nH]c(=O)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ DAO P14920 1/20 0.30
▸ HPGD P15428 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
SCHEMBL29128445 0.85 SLC22A4 (0.32) —
SCHEMBL29128180 0.81 — —
SCHEMBL29128344 0.80 — —
SCHEMBL29128400 0.80 PPARG (0.39) MEN1KMT2AMAPTDAOHPGD
SCHEMBL29128499 0.79 LMNA (0.47) DAO
SCHEMBL29125700 0.75 MTNR1B (0.40) —
SCHEMBL29128313 0.74 CYP1A2 (0.32) MEN1KMT2AMAPTHPGD
SCHEMBL30800062 0.74 CYP1A2 (0.32) MEN1KMT2AMAPTHPGD
SCHEMBL29128483 0.73 DPYD (0.33) —
SCHEMBL29128508 0.72 ALDH1A1 (0.32) MAPTDAO

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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