SCHEMBL29125776

SCHEMBL29125776

CCc1ccc(OC(CC)CCSCc2n[nH]c(=S)[nH]2)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ MAPT P10636 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ MAPK1 P28482 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ MEN1 O00255 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
SCHEMBL29125958 0.89 ALDH1A1 (0.38) NPC1RAB9AMAPTLMNAGAA
SCHEMBL29125848 0.80 ALDH1A1 (0.48) MAPTLMNAGAAAPOBEC3GTDP1
SCHEMBL29125845 0.76 MAPK1 (0.33) NPC1LMNATDP1MAPK1SMN1; SMN2
SCHEMBL29126014 0.76 NOTUM (0.41) NPC1RAB9AAPOBEC3GTDP1
SCHEMBL29125877 0.75 NPC1 (0.42) NPC1RAB9AMAPTLMNAGAA
SCHEMBL29125849 0.74 KDM4E (0.39) MAPTLMNAGAAMAPK1SMN1; SMN2
SCHEMBL29125808 0.71 ALDH1A1 (0.38) LMNAGAAMAPK1SMN1; SMN2L3MBTL1
SCHEMBL29125842 0.68 ALDH1A1 (0.36) LMNASMN1; SMN2KMT2A
SCHEMBL29125864 0.68 — —
SCHEMBL29125786 0.66 KDM4E (0.35) RAB9AMAPTLMNAGAAAPOBEC3G

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-117247361-A Phenol-oxazolone/thioketone compound and synthetic method and application thereof 吉首大学 2023-12-19 — — CN disclosed
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