SCHEMBL29128493

SCHEMBL29128493

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

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SOD1 P00441 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ LMNA P02545 4/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ HPGD P15428 2/20 0.33

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
SCHEMBL29128430 0.86 KDM4E (0.33) SOD1KDM4EHSD17B10LMNAALDH1A1
SCHEMBL29128548 0.86 L3MBTL1 (0.34) HSD17B10ALDH1A1
SCHEMBL29128522 0.82 LMNA (0.36) LMNAALDH1A1HPGD
SCHEMBL29126038 0.80 KMT2A (0.38) SOD1KDM4EHSD17B10LMNAALDH1A1
SCHEMBL29128531 0.79 TACR1 (0.32) KDM4EALDH1A1
SCHEMBL29128519 0.79 ADRA2A (0.34) —
SCHEMBL29128294 0.78 POLB (0.31) —
SCHEMBL29128424 0.77 SMN1; SMN2 (0.33) KDM4E
SCHEMBL29128255 0.75 POLB (0.34) —
SCHEMBL29128588 0.74 MAPT (0.37) ALDH1A1HPGD

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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