SCHEMBL29128340

SCHEMBL29128340

S=c1[nH]cc(CSCCOc2cccc(I)c2I)o1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HTT P42858 1/20 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
SCHEMBL29128376 0.85 KMT2A (0.31) ALDH1A1LMNAHTT
SCHEMBL29128167 0.82 ALDH1A1 (0.36) ALDH1A1LMNAKDM4EHTT
SCHEMBL29128185 0.80 ALDH1A1 (0.39) ALDH1A1LMNAKDM4EHTT
SCHEMBL29128413 0.80 HTT (0.41) ALDH1A1LMNAKDM4EHTT
SCHEMBL29128354 0.78 ALDH1A1 (0.59) ALDH1A1LMNAKDM4EHTT
SCHEMBL29128427 0.77 KDM4E (0.32) ALDH1A1KDM4E
SCHEMBL29128347 0.76 — —
SCHEMBL29128345 0.76 RAB9A (0.46) ALDH1A1LMNAKDM4EHTT
SCHEMBL29128488 0.76 L3MBTL1 (0.43) ALDH1A1KDM4E
SCHEMBL29128245 0.76 L3MBTL1 (0.40) ALDH1A1LMNAKDM4EHTT

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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