SCHEMBL29128508

SCHEMBL29128508

CC(Oc1c(F)cccc1F)SCc1c[nH]c(=O)[nH]1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ THPO P40225 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ HBB P68871 1/20 0.32
▸ PMP22 Q01453 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CXCR2 P25025 1/20 0.31
▸ MPO P05164 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ DAO P14920 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
SCHEMBL29128344 0.87 — —
SCHEMBL29128483 0.86 DPYD (0.33) —
SCHEMBL29128575 0.85 SLC22A4 (0.33) —
SCHEMBL29128400 0.81 PPARG (0.39) ALDH1A1LMNAMAPTSLC6A4DAO
SCHEMBL29128472 0.79 TACR1 (0.33) DAO
SCHEMBL29128516 0.77 MAPT (0.35) ALDH1A1MAPTHTTSLC6A4DAO
SCHEMBL29128499 0.76 LMNA (0.47) LMNATSHRSMN1; SMN2DAO
SCHEMBL29128180 0.75 — —
SCHEMBL29128504 0.73 SLC6A4 (0.36) ALDH1A1LMNAMAPTCYP19A1TSHR
SCHEMBL29128533 0.72 KMT2A (0.44) ALDH1A1MAPTTSHRSMN1; SMN2SLC6A4

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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