SCHEMBL27264592

SCHEMBL27264592

C#CC(=O)N(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(C(=O)NCCc1ccccc1)c1cccs1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GPX4 P36969 8/20 0.64
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ MAPT P10636 1/20 0.51
▸ YAP1 P46937 1/20 0.51
▸ PAX8 Q06710 1/20 0.51
▸ TEAD4 Q15561 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ PIK3C3 Q8NEB9 1/20 0.51
▸ TACR1 P25103 3/20 0.46
▸ TRPA1 O75762 1/20 0.45
▸ CCR2 P41597 1/20 0.44
▸ PLAAT3 P53816 1/20 0.40
▸ PLAAT5 Q96KN8 1/20 0.40
▸ PLAAT2 Q9NWW9 1/20 0.40
▸ PLAAT4 Q9UL19 1/20 0.40
▸ TP53 P04637 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
SCHEMBL27264422 0.93 GPX4 (0.66) GPX4NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL27264417 0.88 GPX4 (0.71) GPX4NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL27264423 0.86 GPX4 (0.72) GPX4NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL27264595 0.85 GPX4 (0.68) GPX4NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL27264585 0.84 GPX4 (0.74) GPX4NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL13579147 0.84 GPX4 (0.53) GPX4NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL27264826 0.83 GPX4 (0.71) GPX4NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL12639359 0.83 GPX4 (0.54) GPX4NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL27264725 0.81 GPX4 (0.61) GPX4NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL27264823 0.81 GPX4 (0.63) GPX4NPC1RAB9ASMN1; SMN2LMNA

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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