SCHEMBL29230954

SCHEMBL29230954

O=C(NC(c1ccccc1)c1ccc(C2CC2)c(F)n1)C1CC(F)CN1C(=O)Cc1nc(C(F)(F)F)co1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 13/20 0.34
▸ CNR2 P34972 1/20 0.31
▸ KLKB1 P03952 1/20 0.31
▸ PSMB9 P28065 1/20 0.31
▸ XIAP P98170 4/20 0.31
▸ BIRC3 Q13489 4/20 0.31
▸ BIRC2 Q13490 4/20 0.31
▸ BIRC8 Q96P09 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
SCHEMBL29820322 1.00 CFD (0.34) CFDCNR2KLKB1PSMB9XIAP
SCHEMBL26816644 1.00 CFD (0.34) CFDCNR2KLKB1PSMB9XIAP
SCHEMBL30341259 1.00 CFD (0.34) CFDCNR2KLKB1PSMB9XIAP
SCHEMBL24665924 0.93 CFD (0.33) CFDPSMB9
SCHEMBL29230925 0.93 CFD (0.33) CFDPSMB9
SCHEMBL30341249 0.93 CFD (0.33) CFDPSMB9
SCHEMBL29820421 0.93 CFD (0.33) CFDPSMB9
SCHEMBL30341314 0.92 CFD (0.35) CFDPSMB9XIAPBIRC3BIRC2
SCHEMBL29820293 0.92 CFD (0.35) CFDPSMB9XIAPBIRC3BIRC2
SCHEMBL24665950 0.92 CFD (0.35) CFDPSMB9XIAPBIRC3BIRC2

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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