SCHEMBL29128364

SCHEMBL29128364

CCC(Oc1ccc(Br)cc1Br)SCc1c[nH]c(=S)[nH]1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MAPK1 P28482 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 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
SCHEMBL29128522 0.86 LMNA (0.36) LMNAATMSMN1; SMN2MAPK1TSHR
SCHEMBL29128430 0.82 KDM4E (0.33) LMNAALDH1A1
SCHEMBL29125900 0.80 LMNA (0.34) LMNAATMSMN1; SMN2MAPK1TSHR
SCHEMBL29128543 0.80 SLC22A4 (0.30) —
SCHEMBL29128306 0.78 — —
SCHEMBL29128323 0.77 ALDH1A1 (0.31) ALDH1A1
SCHEMBL29128380 0.76 — —
SCHEMBL29128363 0.76 KDM4E (0.33) ALDH1A1
SCHEMBL29128288 0.75 APP (0.32) —
SCHEMBL29128322 0.74 SLC22A4 (0.30) —

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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