SCHEMBL27264584

SCHEMBL27264584

C#CC(=O)N(c1ccc(OC)cc1)C(C(=O)NCCc1ccccc1)c1cccs1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPX4 P36969 8/20 0.75
▸ NPSR1 Q6W5P4 2/20 0.60
▸ NPC1 O15118 2/20 0.60
▸ RAB9A P51151 2/20 0.60
▸ LMNA P02545 1/20 0.60
▸ MAPT P10636 1/20 0.60
▸ YAP1 P46937 1/20 0.60
▸ PAX8 Q06710 1/20 0.60
▸ TEAD4 Q15561 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ PIK3C3 Q8NEB9 1/20 0.60
▸ TP53 P04637 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ POLB P06746 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ HPGD P15428 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ TAAR1 Q96RJ0 1/20 0.45
▸ PLAAT3 P53816 1/20 0.43
▸ PLAAT5 Q96KN8 1/20 0.43

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
SCHEMBL27264585 0.92 GPX4 (0.74) GPX4NPSR1NPC1RAB9ALMNA
SCHEMBL27264417 0.90 GPX4 (0.71) GPX4NPSR1NPC1RAB9ALMNA
SCHEMBL15428376 0.88 GPX4 (0.76) GPX4NPSR1NPC1RAB9ALMNA
SCHEMBL27264595 0.88 GPX4 (0.68) GPX4NPSR1NPC1RAB9ALMNA
SCHEMBL27264728 0.87 GPX4 (0.70) GPX4NPSR1NPC1RAB9ALMNA
SCHEMBL27262545 0.86 GPX4 (1.00) GPX4NPSR1NPC1RAB9ALMNA
SCHEMBL27264598 0.86 GPX4 (0.74) GPX4NPSR1NPC1RAB9ALMNA
SCHEMBL27264422 0.86 GPX4 (0.66) GPX4NPSR1NPC1RAB9ALMNA
SCHEMBL27264826 0.86 GPX4 (0.71) GPX4NPSR1NPC1RAB9ALMNA
SCHEMBL27264423 0.83 GPX4 (0.72) GPX4NPSR1NPC1RAB9ALMNA

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
Send feedback