SCHEMBL29128531

SCHEMBL29128531

CCC(Oc1ccc(F)cc1)SCc1c[nH]c(=O)[nH]1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 1/20 0.32
▸ DAO P14920 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ PLA2G7 Q13093 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ NPSR1 Q6W5P4 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
SCHEMBL29128548 0.87 L3MBTL1 (0.34) ALDH1A1MEN1KMT2A
SCHEMBL29128424 0.85 SMN1; SMN2 (0.33) DAOSMN1; SMN2KDM4E
SCHEMBL29128322 0.85 SLC22A4 (0.30) —
SCHEMBL29128294 0.80 POLB (0.31) —
SCHEMBL29128255 0.79 POLB (0.34) —
SCHEMBL29128493 0.79 SOD1 (0.36) KDM4EALDH1A1
SCHEMBL29128588 0.78 MAPT (0.37) DAOMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL29128519 0.78 ADRA2A (0.34) DAO
SCHEMBL29128435 0.76 POLB (0.35) MAPTMEN1KMT2A
SCHEMBL29128360 0.75 LMNA (0.32) DAO

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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