SCHEMBL29128338

SCHEMBL29128338

CCC(Oc1ccc(F)cc1F)SCc1c[nH]c(=S)o1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.34
▸ TRPA1 O75762 4/20 0.33
▸ KMT2A Q03164 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ RAB9A P51151 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
SCHEMBL29128394 0.88 TRPA1 (0.34) HTR2ATRPA1KMT2AMEN1MAPT
SCHEMBL29125732 0.80 ALDH1A1 (0.41) KMT2AMEN1MAPTHPGD
SCHEMBL29128251 0.79 MEN1 (0.32) KMT2AMEN1
SCHEMBL29128223 0.78 — —
SCHEMBL29128335 0.76 — —
SCHEMBL29128425 0.76 MAPT (0.36) MAPTHPGDL3MBTL1
SCHEMBL29125800 0.76 P2RX3 (0.39) TRPA1KMT2AMEN1MAPTHPGD
SCHEMBL29128443 0.75 — —
SCHEMBL29128332 0.74 ALDH1A1 (0.34) TRPA1
SCHEMBL29128267 0.73 ENPP3 (0.31) —

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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