SCHEMBL29128516

SCHEMBL29128516

CC(Oc1cccc(Cl)c1Cl)SCc1c[nH]c(=O)[nH]1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.35
▸ HTT P42858 2/20 0.33
▸ GRIA1 P42261 1/20 0.32
▸ CACNG8 Q8WXS5 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ SLC6A2 P23975 3/20 0.32
▸ SLC6A4 P31645 3/20 0.32
▸ SLC6A3 Q01959 3/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ DAO P14920 2/20 0.31
▸ RHEB Q15382 1/20 0.31
▸ CARM1 Q86X55 1/20 0.31
▸ PRMT6 Q96LA8 1/20 0.31
▸ HTR1D P28221 2/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ IMPDH2 P12268 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
SCHEMBL29128566 0.81 SMN1; SMN2 (0.40) HTTKDM4EALDH1A1CYP2D6
SCHEMBL29128483 0.78 DPYD (0.33) —
SCHEMBL29128508 0.77 ALDH1A1 (0.32) MAPTHTTALDH1A1SLC6A4DAO
SCHEMBL29128344 0.77 — —
SCHEMBL29128472 0.76 TACR1 (0.33) DAO
SCHEMBL29128588 0.76 MAPT (0.37) MAPTHTTALDH1A1DAO
SCHEMBL29128510 0.75 HTT (0.40) MAPTHTTKDM4EALDH1A1CYP2D6
SCHEMBL29128400 0.74 PPARG (0.39) MAPTKDM4EALDH1A1SLC6A4DAO
SCHEMBL29128499 0.73 LMNA (0.47) DAO
SCHEMBL29128180 0.73 — —

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
Send feedback