SCHEMBL29128548

SCHEMBL29128548

CCC(Oc1ccccc1)SCc1c[nH]c(=O)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ PABPC1 P11940 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ DPYD Q12882 1/20 0.33
▸ TSHR P16473 1/20 0.32

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
SCHEMBL29128531 0.87 TACR1 (0.32) ALDH1A1MEN1KMT2A
SCHEMBL29128493 0.86 SOD1 (0.36) ALDH1A1HSD17B10
SCHEMBL29128424 0.85 SMN1; SMN2 (0.33) —
SCHEMBL29128363 0.84 KDM4E (0.33) ALDH1A1HSD17B10
SCHEMBL29128255 0.84 POLB (0.34) L3MBTL1USP2PABPC1TDP1DPYD
SCHEMBL29128588 0.83 MAPT (0.37) L3MBTL1USP2PABPC1TDP1ALDH1A1
SCHEMBL29128519 0.82 ADRA2A (0.34) —
SCHEMBL29128294 0.82 POLB (0.31) —
SCHEMBL29128435 0.81 POLB (0.35) L3MBTL1USP2PABPC1TDP1MEN1
SCHEMBL29125951 0.76 TSHR (0.42) ALDH1A1KMT2AHSD17B10ADORA3ADORA2A

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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