SCHEMBL29125869

SCHEMBL29125869

CC(Oc1ccc(F)cc1F)SCc1n[nH]c(=S)[nH]1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MAPK14 Q16539 7/20 0.34
▸ TRPA1 O75762 4/20 0.32
▸ MAPK11 Q15759 1/20 0.32
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31

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
SCHEMBL29125680 0.91 HTR1A (0.31) —
SCHEMBL29125740 0.88 KMT2A (0.36) MEN1MAPTHPGDKMT2AL3MBTL1
SCHEMBL29125836 0.79 TSHR (0.36) KMT2A
SCHEMBL29125865 0.76 KMT2A (0.38) MEN1MAPTHPGDKMT2AL3MBTL1
SCHEMBL29125986 0.76 ALOX15 (0.34) MEN1MAPTHPGDKMT2AL3MBTL1
SCHEMBL29125862 0.75 ALDH1A1 (0.40) MEN1MAPTHPGDKMT2AMAPK14
SCHEMBL29125804 0.75 ALDH1A1 (0.36) MAPTHPGD
SCHEMBL29125850 0.74 KMT2A (0.33) KMT2A
SCHEMBL29125743 0.74 TTR (0.33) MAPTL3MBTL1
SCHEMBL29125844 0.72 SLC6A4 (0.35) MAPTSLC6A4

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-117247361-A Phenol-oxazolone/thioketone compound and synthetic method and application thereof 吉首大学 2023-12-19 — — CN disclosed
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