SCHEMBL29230689

SCHEMBL29230689

CC(C)c1ccc(C(NC(=O)C2CC(F)CN2C(=O)Cc2ccno2)c2ccccc2)cc1F

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PSMB9 P28065 1/20 0.35
▸ CFD P00746 15/20 0.35
▸ TACR1 P25103 1/20 0.34
▸ KLKB1 P03952 1/20 0.33
▸ VHL P40337 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33

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
SCHEMBL24666367 1.00 PSMB9 (0.35) PSMB9CFDTACR1KLKB1VHL
SCHEMBL24666634 0.87 CFD (0.39) PSMB9CFD
SCHEMBL29230985 0.87 CFD (0.39) PSMB9CFD
SCHEMBL29230955 0.87 PSMB9 (0.36) PSMB9CFDTACR1CNR1CNR2
SCHEMBL24666560 0.87 PSMB9 (0.36) PSMB9CFDTACR1CNR1CNR2
SCHEMBL24665632 0.87 CFD (0.38) PSMB9CFDTACR1CNR1CNR2
SCHEMBL29230972 0.87 CFD (0.38) PSMB9CFDTACR1CNR1CNR2
SCHEMBL29231400 0.86 CFD (0.39) CFDTACR1KLKB1CNR1CNR2
SCHEMBL29231405 0.86 CFD (0.39) CFDTACR1KLKB1CNR1CNR2
SCHEMBL29231403 0.86 CFD (0.39) CFDTACR1KLKB1CNR1CNR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117956985-A Inhibitors of glycogen synthase 1 (GYS 1) and methods of use thereof 梅兹治疗公司 2024-04-30 — — CN disclosed
EP-4308095-A1 INHIBITORS OF GLYCOGEN SYNTHASE 1 (GYS1) AND METHODS OF USE THEREOF Maze Therapeutics, Inc. (US) 2024-01-24 — — EP disclosed
WO-2022198196-A1 INHIBITORS OF GLYCOGEN SYNTHASE 1 (GYS1) AND METHODS OF USE THEREOF MAZE THERAPEUTICS, INC. (US) 2022-09-22 — — WO disclosed
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