SCHEMBL30800061

SCHEMBL30800061

S=c1[nH]cc(CSCOc2ccc(Cl)c(Cl)c2)o1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KDM4E B2RXH2 6/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ DAO P14920 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ LMNA P02545 2/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ GFER P55789 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
SCHEMBL29128462 1.00 POLB (0.36) POLBMAPTTDP1L3MBTL1KDM4E
SCHEMBL29128406 0.85 DAO (0.39) POLBMAPTTDP1L3MBTL1KDM4E
SCHEMBL30800064 0.85 DAO (0.39) POLBMAPTTDP1L3MBTL1KDM4E
SCHEMBL29128494 0.83 MTNR1B (0.31) —
SCHEMBL30799855 0.83 MTNR1B (0.31) —
SCHEMBL29128227 0.80 DRD2 (0.33) MAPTTDP1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL30800013 0.80 ALDH1A1 (0.47) POLBTDP1L3MBTL1KDM4EALDH1A1
SCHEMBL29128442 0.80 ALDH1A1 (0.47) POLBTDP1L3MBTL1KDM4EALDH1A1
SCHEMBL30788470 0.76 ALDH1A1 (0.54) POLBMAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL30799897 0.75 KDM4E (0.33) KDM4ESMN1; SMN2ALDH1A1LMNAGRM5

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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