SCHEMBL29128377

SCHEMBL29128377

S=c1[nH]cc(CSCC(I)C(I)Oc2ccccc2)[nH]1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ GFER P55789 1/20 0.32

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
SCHEMBL29128290 0.85 USP2 (0.33) —
SCHEMBL29128304 0.80 KDM4E (0.32) KDM4EGAAGFER
SCHEMBL29128465 0.78 — —
SCHEMBL29128426 0.75 KDM4E (0.32) KDM4EGAAGFER
SCHEMBL29128320 0.75 KDM4E (0.32) KDM4EGAAGFER
SCHEMBL29128307 0.74 KDM4E (0.35) KDM4EGAAGFER
SCHEMBL29128303 0.72 ALDH1A1 (0.50) KDM4EGAAGFER
SCHEMBL29128363 0.72 KDM4E (0.33) KDM4EGAAGFER
SCHEMBL29128574 0.72 PPARG (0.33) —
SCHEMBL29128359 0.71 ALDH1A1 (0.43) 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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