SCHEMBL29128269

SCHEMBL29128269

S=c1[nH]cc(CSCCl)[nH]1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SLC22A4 Q9H015 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ GFER P55789 1/20 0.31
▸ DAO P14920 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
SCHEMBL29128502 0.68 ALDH1A1 (0.32) KDM4E
SCHEMBL29128544 0.68 KDM4E (0.33) KDM4E
SCHEMBL30799897 0.68 KDM4E (0.33) KDM4E
SCHEMBL29128303 0.68 ALDH1A1 (0.50) KDM4EGAAGFER
SCHEMBL29128615 0.68 ALDH1A1 (0.34) SLC22A4GAA
SCHEMBL29128359 0.67 ALDH1A1 (0.43) KDM4EGAAGFER
SCHEMBL29128350 0.66 SOD1 (0.36) KDM4EDAO
SCHEMBL29125885 0.61 TSHR (0.36) —
SCHEMBL159812 0.49 — —
SCHEMBL25418259 0.48 ATAD2 (0.60) KDM4EGAAGFER

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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