SCHEMBL29230643

SCHEMBL29230643

Cc1cc(CC(=O)N2CC(F)CC2C(=O)NC(c2ccccc2)c2ccc(C3CC(F)(F)C3)c(F)n2)c[nH]c1=O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 11/20 0.35
▸ PSMB9 P28065 1/20 0.33
▸ ITGA4 P13612 4/20 0.32
▸ XIAP P98170 3/20 0.31
▸ BIRC3 Q13489 3/20 0.31
▸ BIRC2 Q13490 3/20 0.31
▸ BIRC8 Q96P09 1/20 0.31
▸ CTSS P25774 1/20 0.31
▸ CTSK P43235 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
SCHEMBL24666675 1.00 CFD (0.35) CFDPSMB9ITGA4XIAPBIRC3
SCHEMBL30341359 1.00 CFD (0.35) CFDPSMB9ITGA4XIAPBIRC3
SCHEMBL29820367 1.00 CFD (0.35) CFDPSMB9ITGA4XIAPBIRC3
SCHEMBL30341411 0.93 CFD (0.36) CFDPSMB9ITGA4XIAPBIRC3
SCHEMBL24666741 0.93 CFD (0.36) CFDPSMB9ITGA4XIAPBIRC3
SCHEMBL29820726 0.93 CFD (0.36) CFDPSMB9ITGA4XIAPBIRC3
SCHEMBL29230735 0.93 CFD (0.36) CFDPSMB9ITGA4XIAPBIRC3
SCHEMBL24664545 0.89 CFD (0.34) CFDPSMB9ITGA4XIAPBIRC3
SCHEMBL24664536 0.89 CFD (0.34) CFDPSMB9ITGA4XIAPBIRC3
SCHEMBL30341435 0.89 CFD (0.34) CFDPSMB9ITGA4XIAPBIRC3

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
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
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