SCHEMBL29128181

SCHEMBL29128181

CCC(Oc1ccccc1)SCc1c[nH]c(=O)o1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ IGLV6-57 P01721 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ GHSR Q92847 1/20 0.30
▸ ADORA3 P0DMS8 1/20 0.30
▸ ADORA2A P29274 1/20 0.30
▸ ADORA1 P30542 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
SCHEMBL29128593 0.89 LDHA (0.31) —
SCHEMBL29128449 0.89 MAPT (0.31) —
SCHEMBL29128309 0.86 SLC6A4 (0.32) —
SCHEMBL29128439 0.86 — —
SCHEMBL29128375 0.84 MEN1 (0.34) ALDH1A1MEN1KMT2A
SCHEMBL29128268 0.83 LMNA (0.31) ALDH1A1KMT2AHSD17B10
SCHEMBL29128425 0.83 MAPT (0.36) ALDH1A1L3MBTL1NPSR1
SCHEMBL29128417 0.80 — —
SCHEMBL29128243 0.79 — —
SCHEMBL29125920 0.79 ALDH1A1 (0.40) ALDH1A1ADORA3ADORA2AADORA1

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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