SCHEMBL27264728

SCHEMBL27264728

C#CC(=O)N(c1ccc(OC)cc1OC)C(C(=O)NCCc1ccccc1)c1cccs1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GPX4 P36969 8/20 0.70
▸ NPC1 O15118 2/20 0.58
▸ NPSR1 Q6W5P4 2/20 0.58
▸ LMNA P02545 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ YAP1 P46937 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ PAX8 Q06710 1/20 0.58
▸ TEAD4 Q15561 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ PIK3C3 Q8NEB9 1/20 0.58
▸ TDP1 Q9NUW8 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ C5AR1 P21730 1/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42

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
SCHEMBL14788390 0.89 GPX4 (0.54) GPX4NPC1NPSR1LMNAMAPT
SCHEMBL27264584 0.87 GPX4 (0.75) GPX4NPC1NPSR1LMNAMAPT
SCHEMBL27264585 0.86 GPX4 (0.74) GPX4NPC1NPSR1LMNAMAPT
SCHEMBL27264598 0.86 GPX4 (0.74) GPX4NPC1NPSR1LMNAMAPT
SCHEMBL29864762 0.84 GPX4 (0.49) GPX4NPC1NPSR1LMNAMAPT
SCHEMBL14788388 0.84 GPX4 (0.49) GPX4NPC1NPSR1LMNAMAPT
SCHEMBL27262545 0.82 GPX4 (1.00) GPX4NPC1NPSR1LMNAMAPT
SCHEMBL27264725 0.82 GPX4 (0.61) GPX4NPC1NPSR1LMNAMAPT
SCHEMBL27264426 0.81 GPX4 (0.67) GPX4NPC1NPSR1LMNAMAPT
SCHEMBL27264417 0.81 GPX4 (0.71) GPX4NPC1NPSR1LMNAMAPT

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
WO-2024030651-A1 GPX4 INHIBITORS AND USE THEREOF SONATA THERAPEUTICS, INC. (US) 2024-02-08 — — WO disclosed
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