SCHEMBL29125910

SCHEMBL29125910

S=c1[nH]nc(CSCC(I)COc2ccccc2)o1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 14/20 0.65
▸ GAA P10253 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HSD17B10 Q99714 3/20 0.42
▸ HPGD P15428 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ BACE1 P56817 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ RAB9A P51151 1/20 0.35

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
SCHEMBL29125750 0.86 ALDH1A1 (0.46) ALDH1A1KMT2AHSD17B10HPGDPOLB
SCHEMBL29125674 0.86 ALDH1A1 (0.65) ALDH1A1GAAMEN1KMT2AHSD17B10
SCHEMBL29125788 0.79 ALDH1A1 (1.00) ALDH1A1GAAMEN1KMT2AHSD17B10
SCHEMBL29125903 0.78 ALDH1A1 (0.88) ALDH1A1GAAMEN1KMT2AHSD17B10
SCHEMBL29125972 0.77 ALDH1A1 (0.66) ALDH1A1GAAMEN1KMT2AHSD17B10
SCHEMBL29125730 0.75 ALDH1A1 (0.51) ALDH1A1GAAMEN1KMT2AHSD17B10
SCHEMBL29125748 0.74 ALDH1A1 (0.56) ALDH1A1GAAMEN1KMT2AHSD17B10
SCHEMBL29125706 0.74 ALDH1A1 (0.55) ALDH1A1GAAMEN1KMT2AHSD17B10
SCHEMBL29125766 0.73 ALDH1A1 (0.72) ALDH1A1GAAMEN1KMT2AHSD17B10
SCHEMBL29125883 0.68 ALDH1A1 (0.57) ALDH1A1GAAMEN1KMT2AHSD17B10

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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