SCHEMBL29125837

SCHEMBL29125837

S=c1[nH]nc(CSCCl)o1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.50
▸ KDM4E B2RXH2 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ HPGD P15428 3/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL29125821 0.77 SORT1 (0.44) ALDH1A1KDM4ELMNA
SCHEMBL21377060 0.69 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL30788470 0.68 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL29125933 0.68 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL29125883 0.68 ALDH1A1 (0.57) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL29125788 0.68 ALDH1A1 (1.00) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL29125903 0.67 ALDH1A1 (0.88) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL29125887 0.67 ALDH1A1 (0.50) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL29125896 0.66 ALDH1A1 (0.55) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL29125885 0.64 TSHR (0.36) —

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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