SCHEMBL29128394

SCHEMBL29128394

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

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.34
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ NR3C2 P08235 1/20 0.31
▸ FAAH O00519 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
SCHEMBL29128425 0.89 MAPT (0.36) MAPTHPGDL3MBTL1
SCHEMBL29128338 0.88 HTR2A (0.34) TRPA1KMT2AMEN1MAPTHPGD
SCHEMBL29125800 0.81 P2RX3 (0.39) TRPA1KMT2AMEN1MAPTHPGD
SCHEMBL29128541 0.79 — —
SCHEMBL29128243 0.78 — —
SCHEMBL29128181 0.76 ALDH1A1 (0.33) KMT2AMEN1L3MBTL1
SCHEMBL29128593 0.75 LDHA (0.31) —
SCHEMBL29128449 0.75 MAPT (0.31) MAPT
SCHEMBL29128439 0.73 — —
SCHEMBL29128388 0.73 NR3C2 (0.34) TRPA1KMT2AMEN1HPGDL3MBTL1

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
Send feedback