SCHEMBL29128430

SCHEMBL29128430

CCC(Oc1cccc(Br)c1)SCc1c[nH]c(=S)[nH]1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.33
▸ SOD1 P00441 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ SLC22A4 Q9H015 1/20 0.30
▸ MAOB P27338 2/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 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
SCHEMBL29128493 0.86 SOD1 (0.36) KDM4ESOD1HSD17B10ALDH1A1LMNA
SCHEMBL29128363 0.86 KDM4E (0.33) KDM4EHSD17B10SLC22A4ALDH1A1
SCHEMBL29128364 0.82 LMNA (0.34) ALDH1A1LMNA
SCHEMBL29125811 0.80 ADORA2A (0.34) KDM4EHSD17B10MAOBALDH1A1LMNA
SCHEMBL29128322 0.79 SLC22A4 (0.30) SLC22A4
SCHEMBL29128380 0.78 — —
SCHEMBL29128454 0.78 ADRA2A (0.33) SLC22A4
SCHEMBL29128228 0.77 — —
SCHEMBL29128306 0.75 — —
SCHEMBL29128323 0.74 ALDH1A1 (0.31) ALDH1A1

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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