SCHEMBL29128409

SCHEMBL29128409

CC(Oc1cccc(F)c1F)SCc1c[nH]c(=O)o1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 1/20 0.34
▸ GRM2 Q14416 1/20 0.31
▸ SLC6A2 P23975 2/20 0.31
▸ SLC6A4 P31645 2/20 0.31
▸ SLC6A3 Q01959 2/20 0.31
▸ HRH1 P35367 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
SCHEMBL29128171 0.87 SLC6A2 (0.31) CXCR2SLC6A2SLC6A4SLC6A3HRH1
SCHEMBL29128381 0.82 — —
SCHEMBL29128177 0.79 ALDH1A1 (0.30) —
SCHEMBL29128375 0.78 MEN1 (0.34) —
SCHEMBL29128425 0.77 MAPT (0.36) —
SCHEMBL29128387 0.75 LMNA (0.37) —
SCHEMBL29128402 0.75 RAB9A (0.34) CXCR2GRM2SLC6A2SLC6A4SLC6A3
SCHEMBL29128342 0.75 HSD17B10 (0.36) —
SCHEMBL29128374 0.74 MEN1 (0.37) —
SCHEMBL29128296 0.74 MAPK1 (0.38) GRM2SLC6A2SLC6A4

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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