SCHEMBL29231300

SCHEMBL29231300

CC(C)(C)OC(=O)N1CC(F)C[C@@H]1C(=O)NC(c1ccccc1)c1ccc(Br)c(F)n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTRA1 Q92743 1/20 0.43
▸ MCL1 Q07820 10/20 0.38
▸ CFD P00746 2/20 0.37
▸ ELANE P08246 4/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ UCHL1 P09936 1/20 0.34
▸ CTSL P07711 1/20 0.34
▸ CTSB P07858 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34

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
SCHEMBL29231296 1.00 HTRA1 (0.43) HTRA1MCL1CFDELANECYP1A2
SCHEMBL24666768 1.00 HTRA1 (0.43) HTRA1MCL1CFDELANECYP1A2
SCHEMBL29820200 1.00 HTRA1 (0.43) HTRA1MCL1CFDELANECYP1A2
SCHEMBL29231302 1.00 HTRA1 (0.43) HTRA1MCL1CFDELANECYP1A2
SCHEMBL29231608 0.90 HTRA1 (0.44) HTRA1MCL1CFDELANECYP1A2
SCHEMBL24664650 0.90 HTRA1 (0.44) HTRA1MCL1CFDELANECYP1A2
SCHEMBL29231610 0.90 HTRA1 (0.44) HTRA1MCL1CFDELANECYP1A2
SCHEMBL29231612 0.90 HTRA1 (0.44) HTRA1MCL1CFDELANECYP1A2
SCHEMBL24664643 0.89 HTRA1 (0.43) HTRA1MCL1CFDCYP1A2POLB
SCHEMBL29230924 0.89 HTRA1 (0.43) HTRA1MCL1CFDCYP1A2POLB

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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