SCHEMBL29128216

SCHEMBL29128216

CCc1cccc(OC(C)SCc2c[nH]c(=S)[nH]2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ SOD1 P00441 1/20 0.35
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ MMP1 P03956 1/20 0.32
▸ MMP2 P08253 1/20 0.32
▸ MMP9 P14780 1/20 0.32
▸ MMP12 P39900 1/20 0.32
▸ DAO P14920 2/20 0.32
▸ SLC22A4 Q9H015 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL29128499 0.86 LMNA (0.47) MAPK1L3MBTL1TSHRTDP1LMNA
SCHEMBL29128369 0.85 PPARG (0.36) SLC6A2SLC6A4DAOSLC22A4
SCHEMBL29128307 0.84 KDM4E (0.35) SLC22A4KDM4EALDH1A1
SCHEMBL29128445 0.79 SLC22A4 (0.32) SLC22A4
SCHEMBL29128352 0.78 SLC22A4 (0.32) SLC22A4ALDH1A1
SCHEMBL29128210 0.77 KDM4E (0.41) MAPK1L3MBTL1TSHRTDP1LMNA
SCHEMBL29128327 0.77 SLC22A4 (0.32) SLC22A4
SCHEMBL29128469 0.77 SLC22A4 (0.32) SLC22A4
SCHEMBL29128575 0.76 SLC22A4 (0.33) SLC22A4
SCHEMBL29128509 0.76 SLC22A4 (0.31) 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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