SCHEMBL29128350

SCHEMBL29128350

CCc1ccc(OCSCc2c[nH]c(=S)[nH]2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SOD1 P00441 1/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ HTT P42858 2/20 0.33
▸ MAPT P10636 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ DAO P14920 3/20 0.32
▸ RXRA P19793 1/20 0.32
▸ RXRB P28702 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ GALR3 O60755 1/20 0.30
▸ STAT3 P40763 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL29128444 0.84 SOD1 (0.42) SOD1NPC1RAB9AMAPTALDH1A1
SCHEMBL30799842 0.83 ALDH1A1 (0.37) HTTMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL29128312 0.83 ALDH1A1 (0.37) HTTMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL29128540 0.82 NPC1 (0.33) SOD1NPC1ALDH1A1KDM4E
SCHEMBL29128544 0.77 KDM4E (0.33) ALDH1A1LMNASMN1; SMN2HPGDKDM4E
SCHEMBL30799897 0.77 KDM4E (0.33) ALDH1A1LMNASMN1; SMN2HPGDKDM4E
SCHEMBL29128262 0.76 ALDH1A1 (0.42) L3MBTL1HTTMAPTALDH1A1LMNA
SCHEMBL29128230 0.76 L3MBTL1 (0.39) L3MBTL1MAPTHPGDKDM4ETDP1
SCHEMBL30800003 0.76 ALDH1A1 (0.42) L3MBTL1HTTMAPTALDH1A1LMNA
SCHEMBL29128308 0.74 ALDH1A1 (0.32) MAPTALDH1A1HPGD

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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