SCHEMBL29125986

SCHEMBL29125986

CC(Oc1ccccc1C(C)(C)C)SCc1n[nH]c(=S)[nH]1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ NISCH Q9Y2I1 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HSD17B10 Q99714 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
SCHEMBL29125699 0.88 TSHR (0.39) ALOX15MAPTNISCHLMNAHTT
SCHEMBL29125804 0.80 ALDH1A1 (0.36) MAPTNISCHLMNANPSR1ALDH1A1
SCHEMBL29125901 0.78 SMN1; SMN2 (0.35) ALOX15HTTTDP1TP53KMT2A
SCHEMBL29125908 0.77 — —
SCHEMBL29125680 0.76 HTR1A (0.31) —
SCHEMBL29125980 0.76 HTT (0.44) ALOX15MAPTNISCHLMNAHTT
SCHEMBL29125869 0.76 MEN1 (0.34) MAPTMEN1KMT2AL3MBTL1HPGD
SCHEMBL29125924 0.74 NTRK1 (0.37) MAPTKMT2AALDH1A1HPGDHSD17B10
SCHEMBL29125769 0.74 ALDH1A1 (0.30) MAPTALDH1A1HPGDHSD17B10
SCHEMBL29128421 0.74 ALDH1A1 (0.31) MAPTNISCHALDH1A1SMN1; SMN2L3MBTL1

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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