SCHEMBL29125909

SCHEMBL29125909

CCC(Oc1ccccc1)SCc1n[nH]c(=S)o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 15/20 0.57
▸ LMNA P02545 2/20 0.44
▸ HSD17B10 Q99714 3/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ GAA P10253 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HPGD P15428 4/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ ENPP3 O14638 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ PPARG P37231 1/20 0.37
▸ STAT3 P40763 1/20 0.37
▸ NCOA2 Q15596 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL29125974 0.86 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10ALOX15TSHR
SCHEMBL29125940 0.86 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10ALOX15TSHR
SCHEMBL29125920 0.85 ALDH1A1 (0.40) ALDH1A1KDM4E
SCHEMBL29125792 0.85 ALDH1A1 (0.56) ALDH1A1LMNAHSD17B10ALOX15TSHR
SCHEMBL29125679 0.83 ALDH1A1 (0.45) ALDH1A1LMNAHSD17B10ALOX15TSHR
SCHEMBL29125915 0.83 ALDH1A1 (0.45) ALDH1A1LMNAHSD17B10ALOX15TSHR
SCHEMBL29125852 0.82 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10ALOX15TSHR
SCHEMBL29125711 0.78 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10ALOX15TSHR
SCHEMBL29125828 0.77 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10ALOX15TSHR
SCHEMBL29125786 0.77 KDM4E (0.35) ALDH1A1LMNAHSD17B10GAAHPGD

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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