SCHEMBL29128408

SCHEMBL29128408

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 5/20 0.40
▸ MAPT P10636 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ POLB P06746 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ NISCH Q9Y2I1 1/20 0.36
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ PABPC1 P11940 1/20 0.32
▸ TDP1 Q9NUW8 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
SCHEMBL29128168 0.89 POLB (0.32) POLB
SCHEMBL29128230 0.86 L3MBTL1 (0.39) L3MBTL1MAPTNPSR1HPGDATM
SCHEMBL29128356 0.83 DAO (0.40) L3MBTL1MAPTHPGDTSHRSMN1; SMN2
SCHEMBL29128515 0.82 CYP2D6 (0.36) L3MBTL1MAPTNPSR1POLBHPGD
SCHEMBL30800004 0.78 LMNA (0.34) MAPTPOLBHSD17B10KDM4ESMN1; SMN2
SCHEMBL29128351 0.78 — —
SCHEMBL29128325 0.78 LMNA (0.34) MAPTPOLBHSD17B10KDM4ESMN1; SMN2
SCHEMBL29128444 0.77 SOD1 (0.42) MAPTPOLBHPGDKDM4ESMN1; SMN2
SCHEMBL29128477 0.75 TRPA1 (0.36) MAPTPOLBHPGDTSHRSMN1; SMN2
SCHEMBL29128226 0.75 L3MBTL1 (0.39) L3MBTL1MAPTNPSR1POLBHPGD

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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