SCHEMBL29230830

SCHEMBL29230830

CC(C)c1ccc(C(NC(=O)C2CC(F)CN2C(=O)Cc2nnc(C(F)F)o2)c2ccccc2)nc1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 3/20 0.35
▸ PSMB9 P28065 1/20 0.34
▸ CFD P00746 13/20 0.34
▸ ITGA4 P13612 2/20 0.31
▸ GPR88 Q9GZN0 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
SCHEMBL24664589 1.00 HDAC6 (0.35) HDAC6PSMB9CFDITGA4GPR88
SCHEMBL29230784 0.89 ITGA4 (0.35) HDAC6PSMB9CFDITGA4
SCHEMBL29230781 0.89 ITGA4 (0.35) HDAC6PSMB9CFDITGA4
SCHEMBL24665866 0.89 ITGA4 (0.35) HDAC6PSMB9CFDITGA4
SCHEMBL29820279 0.88 GPR88 (0.36) PSMB9CFDITGA4GPR88
SCHEMBL24664659 0.88 GPR88 (0.36) PSMB9CFDITGA4GPR88
SCHEMBL26832888 0.87 TACR1 (0.40) HDAC6CFDGPR88
SCHEMBL24664461 0.87 PSMB9 (0.34) PSMB9CFDITGA4
SCHEMBL30341256 0.87 PSMB9 (0.34) PSMB9CFDITGA4
SCHEMBL29230539 0.87 PSMB9 (0.34) PSMB9CFDITGA4

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
Send feedback