SCHEMBL29128376

SCHEMBL29128376

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

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ ALDH1A1 P00352 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
SCHEMBL29128340 0.85 ALDH1A1 (0.37) LMNAHTTALDH1A1
SCHEMBL29128402 0.82 RAB9A (0.34) KMT2ALMNAHTTALDH1A1
SCHEMBL29128302 0.79 APP (0.35) KMT2ALMNAHTTALDH1A1
SCHEMBL29128173 0.79 HTT (0.40) KMT2ALMNAHTTALDH1A1
SCHEMBL29128368 0.78 ALDH1A1 (0.49) KMT2ALMNAHTTALDH1A1
SCHEMBL29128202 0.77 — —
SCHEMBL30799894 0.76 RAB9A (0.46) KMT2ALMNAHTTALDH1A1
SCHEMBL29128384 0.76 HTR1B (0.36) KMT2ALMNAALDH1A1
SCHEMBL29128337 0.76 RAB9A (0.46) KMT2ALMNAHTTALDH1A1
SCHEMBL29128420 0.76 MEN1 (0.40) KMT2AHTTALDH1A1

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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