SCHEMBL29230765

SCHEMBL29230765

O=C(NC(c1ccccc1)c1ccc(C2CC(F)(F)C2)c(F)c1)C1CC(F)CN1C(=O)Cc1nc(C(F)(F)F)co1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 12/20 0.34
▸ KLKB1 P03952 1/20 0.32
▸ PSMB9 P28065 1/20 0.32
▸ XIAP P98170 5/20 0.31
▸ BIRC3 Q13489 5/20 0.31
▸ BIRC2 Q13490 5/20 0.31
▸ BIRC8 Q96P09 1/20 0.31
▸ EP300 Q09472 1/20 0.31

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
SCHEMBL24665668 1.00 CFD (0.34) CFDKLKB1PSMB9XIAPBIRC3
SCHEMBL29230941 0.92 CFD (0.37) CFDPSMB9XIAPBIRC3BIRC2
SCHEMBL24665890 0.92 CFD (0.37) CFDPSMB9XIAPBIRC3BIRC2
SCHEMBL30341249 0.89 CFD (0.33) CFDPSMB9
SCHEMBL24665924 0.89 CFD (0.33) CFDPSMB9
SCHEMBL29230925 0.89 CFD (0.33) CFDPSMB9
SCHEMBL29820421 0.89 CFD (0.33) CFDPSMB9
SCHEMBL26863740 0.88 TACR1 (0.41) CFDKLKB1XIAPBIRC3BIRC2
SCHEMBL24665665 0.88 CFD (0.34) CFDPSMB9
SCHEMBL29231309 0.88 CFD (0.34) CFDPSMB9

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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