SCHEMBL29231341

SCHEMBL29231341

CC(C)c1ccc([C@@H](NC(=O)C2CC(F)CN2C(=O)Cc2cnn[nH]2)c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 15/20 0.38
▸ PSMB9 P28065 1/20 0.36
▸ XIAP P98170 2/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TACR1 P25103 1/20 0.35

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
SCHEMBL24666276 1.00 CFD (0.38) CFDPSMB9XIAPMEN1ALDH1A1
SCHEMBL24666217 1.00 CFD (0.38) CFDPSMB9XIAPMEN1ALDH1A1
SCHEMBL24665428 1.00 CFD (0.38) CFDPSMB9XIAPMEN1ALDH1A1
SCHEMBL29230659 0.92 CFD (0.35) CFDPSMB9XIAP
SCHEMBL29230559 0.92 CFD (0.35) CFDPSMB9XIAP
SCHEMBL24665821 0.92 CFD (0.35) CFDPSMB9XIAP
SCHEMBL30341516 0.91 CFD (0.38) CFD
SCHEMBL29231193 0.91 CFD (0.38) CFD
SCHEMBL29820287 0.91 CFD (0.38) CFD
SCHEMBL30341362 0.91 CFD (0.38) CFD

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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