SCHEMBL29128574

SCHEMBL29128574

Fc1ccccc1OC(F)CSCc1c[nH]c(=S)[nH]1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL29128505 0.85 PPARG (0.36) PPARGPPARACYP1A2CYP3A4CYP2D6
SCHEMBL29128298 0.80 L3MBTL1 (0.37) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL29128260 0.79 PPARG (0.36) PPARGPPARACYP1A2CYP3A4CYP2D6
SCHEMBL29128465 0.77 — —
SCHEMBL29128506 0.73 — —
SCHEMBL29128377 0.72 KDM4E (0.32) —
SCHEMBL29128304 0.69 KDM4E (0.32) —
SCHEMBL29128572 0.68 SLC6A4 (0.33) SLC6A4
SCHEMBL29128575 0.68 SLC22A4 (0.33) —
SCHEMBL2744661 0.64 DAO (0.44) —

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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