SCHEMBL29128561

SCHEMBL29128561

Fc1ccc(OCSCc2c[nH]c(=S)[nH]2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 9/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NR3C2 P08235 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
SCHEMBL29128298 0.87 L3MBTL1 (0.37) MEN1ALDH1A1KMT2A
SCHEMBL29128477 0.85 TRPA1 (0.36) TRPA1MEN1ALDH1A1POLBHPGD
SCHEMBL29128257 0.78 KDM4E (0.33) ALDH1A1
SCHEMBL29128206 0.74 — —
SCHEMBL29128230 0.74 L3MBTL1 (0.39) MEN1HPGDKMT2A
SCHEMBL29128489 0.74 — —
SCHEMBL29128383 0.72 SLC22A4 (0.32) KMT2A
SCHEMBL29128356 0.71 DAO (0.40) ALDH1A1HPGD
SCHEMBL30799897 0.70 KDM4E (0.33) MEN1ALDH1A1HPGDKMT2A
SCHEMBL29128544 0.70 KDM4E (0.33) MEN1ALDH1A1HPGDKMT2A

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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