SCHEMBL29128369

SCHEMBL29128369

CC(Oc1cccc(F)c1)SCc1c[nH]c(=S)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ SLC6A4 P31645 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ VCP P55072 1/20 0.32
▸ SLC22A4 Q9H015 1/20 0.32
▸ DAO P14920 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ SLC6A2 P23975 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ SLC6A3 Q01959 1/20 0.30
▸ KCNH2 Q12809 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
SCHEMBL29128400 0.86 PPARG (0.39) PPARGPPARASLC6A4HPGDMEN1
SCHEMBL29128307 0.85 KDM4E (0.35) MEN1KMT2ASLC22A4CYP3A4
SCHEMBL29128216 0.85 MAPK1 (0.36) SLC6A4SLC22A4DAOSLC6A2
SCHEMBL29128575 0.81 SLC22A4 (0.33) SLC22A4
SCHEMBL29128264 0.81 SLC22A4 (0.32) SLC22A4
SCHEMBL29128260 0.80 PPARG (0.36) PPARGPPARASLC6A4HPGDDAO
SCHEMBL29128445 0.80 SLC22A4 (0.32) SLC22A4
SCHEMBL29128352 0.79 SLC22A4 (0.32) SLC22A4
SCHEMBL29128469 0.78 SLC22A4 (0.32) SLC22A4
SCHEMBL29128327 0.78 SLC22A4 (0.32) SLC22A4

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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