SCHEMBL29128230

SCHEMBL29128230

CCc1ccccc1OCSCc1c[nH]c(=S)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 5/20 0.39
▸ MAPT P10636 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HPGD P15428 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ NISCH Q9Y2I1 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.33
▸ TSHR P16473 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ KMT2A Q03164 2/20 0.31
▸ SLC22A4 Q9H015 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ SSTR4 P31391 1/20 0.30
▸ MEN1 O00255 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
SCHEMBL29128383 0.89 SLC22A4 (0.32) KMT2ASLC22A4TDP1
SCHEMBL29128408 0.86 L3MBTL1 (0.40) L3MBTL1MAPTNPSR1HPGDATM
SCHEMBL29128452 0.83 CYP2D6 (0.35) L3MBTL1MAPTNPSR1HPGDATM
SCHEMBL29128298 0.82 L3MBTL1 (0.37) L3MBTL1MAPTKDM4EKMT2ATDP1
SCHEMBL29128312 0.79 ALDH1A1 (0.37) MAPTHPGDTSHRKMT2ASLC22A4
SCHEMBL30799842 0.79 ALDH1A1 (0.37) MAPTHPGDTSHRKMT2ASLC22A4
SCHEMBL29128520 0.77 L3MBTL1 (0.39) L3MBTL1MAPTNPSR1HPGDATM
SCHEMBL29128206 0.77 — —
SCHEMBL29128350 0.76 SOD1 (0.36) L3MBTL1MAPTHPGDKDM4EKMT2A
SCHEMBL29128168 0.75 POLB (0.32) —

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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