SCHEMBL29230802

SCHEMBL29230802

CC(C)c1ccc(C(NC(=O)C2CC(F)C(C)N2C(=O)Cc2cnn[nH]2)c2ccccc2)cc1F

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ XIAP P98170 8/20 0.32
▸ TACR1 P25103 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ BIRC3 Q13489 2/20 0.30
▸ BIRC2 Q13490 2/20 0.30
▸ BIRC8 Q96P09 1/20 0.30

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
SCHEMBL24666001 1.00 CNR1 (0.32) CNR1CNR2XIAPTACR1MEN1
SCHEMBL29820563 0.90 CFD (0.36) —
SCHEMBL26816043 0.90 CFD (0.36) —
SCHEMBL30341395 0.90 CFD (0.36) —
SCHEMBL24665653 0.89 CNR1 (0.32) CNR1CNR2XIAPTACR1MEN1
SCHEMBL29820452 0.89 XIAP (0.35) XIAPTACR1BIRC3BIRC2BIRC8
SCHEMBL24665652 0.89 XIAP (0.35) XIAPTACR1BIRC3BIRC2BIRC8
SCHEMBL29230882 0.89 XIAP (0.35) XIAPTACR1BIRC3BIRC2BIRC8
SCHEMBL30341283 0.89 XIAP (0.35) XIAPTACR1BIRC3BIRC2BIRC8
SCHEMBL24666327 0.86 CTSS (0.37) CNR1CNR2XIAPTACR1MEN1

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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