SCHEMBL29128339

SCHEMBL29128339

O=c1[nH]cc(CSCCOc2c(Br)cccc2Br)[nH]1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.32
▸ PABPC1 P11940 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MAPT P10636 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ DAO P14920 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL29128476 0.85 DPYD (0.33) USP2PABPC1TDP1L3MBTL1MAPT
SCHEMBL29128502 0.84 ALDH1A1 (0.32) MAPTALDH1A1HTTKDM4EMEN1
SCHEMBL29128504 0.84 SLC6A4 (0.36) USP2PABPC1TDP1L3MBTL1MAPT
SCHEMBL30800062 0.80 CYP1A2 (0.32) MAPTALDH1A1HTTKDM4EMEN1
SCHEMBL29128313 0.80 CYP1A2 (0.32) MAPTALDH1A1HTTKDM4EMEN1
SCHEMBL29128510 0.79 HTT (0.40) TDP1L3MBTL1MAPTALDH1A1HTT
SCHEMBL29128511 0.77 MAPK1 (0.32) ALDH1A1LMNA
SCHEMBL29125929 0.76 TSHR (0.48) MAPTALDH1A1HTTKDM4EMEN1
SCHEMBL30799972 0.76 DAO (0.44) ALDH1A1KDM4EDAOMEN1KMT2A
SCHEMBL29128351 0.75 — —

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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