SCHEMBL29128518

SCHEMBL29128518

O=c1[nH]cc(CSCOc2ccc(F)cc2)o1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 3/20 0.35
▸ MAOA P21397 2/20 0.34
▸ MAOB P27338 2/20 0.34
▸ ACHE P22303 1/20 0.34
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ PLA2G7 Q13093 2/20 0.32
▸ LMNA P02545 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ HCAR2 Q8TDS4 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
SCHEMBL29128227 0.83 DRD2 (0.33) NPC1RAB9ATSHRMEN1ALDH1A1
SCHEMBL29128392 0.82 DAO (0.31) DAOMAOAMAOBACHE
SCHEMBL29128606 0.82 ADRA1D (0.30) —
SCHEMBL30799866 0.81 MAOA (0.30) MAOAMAOB
SCHEMBL29128441 0.81 MAOA (0.30) MAOAMAOB
SCHEMBL29128406 0.80 DAO (0.39) DAOMAOAMAOBLMNAALDH1A1
SCHEMBL30800064 0.80 DAO (0.39) DAOMAOAMAOBLMNAALDH1A1
SCHEMBL29128202 0.77 — —
SCHEMBL30799906 0.76 LYN (0.40) RAB9ATSHRALDH1A1KMT2ATDP1
SCHEMBL29128447 0.76 LYN (0.40) RAB9ATSHRALDH1A1KMT2ATDP1

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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