SCHEMBL29129148

SCHEMBL29129148

CC(C)(C)OC(=O)NCC#CC#Cc1ccc(N)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.56
DDB1 Q16531 2/20 0.42
CRBN Q96SW2 2/20 0.42
ADRA2A P08913 1/20 0.39
DRD5 P21918 1/20 0.39
DRD3 P35462 1/20 0.39
P2RY6 Q15077 1/20 0.39
CA12 O43570 5/20 0.39
CA1 P00915 5/20 0.39
CA2 P00918 5/20 0.39
CA9 Q16790 5/20 0.39
IDO1 P14902 1/20 0.36
KDM4A O75164 1/20 0.34
APP P05067 3/20 0.34
TDP1 Q9NUW8 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
SCHEMBL25693853 0.90 PTPN11 (0.67) PTPN11DDB1CRBNADRA2ADRD5
SCHEMBL27222955 0.85 CA1 (0.42) PTPN11DDB1CRBNCA12CA1
SCHEMBL24630469 0.83 PTPN11 (0.66) PTPN11DDB1CRBNADRA2ADRD5
SCHEMBL24510789 0.81 PTPN11 (0.40) PTPN11CA12CA1CA2CA9
SCHEMBL3666693 0.80 ALDH1A1 (0.49) PTPN11DDB1CRBNCA12CA1
SCHEMBL12380408 0.78 MEN1 (0.49) PTPN11
SCHEMBL26131987 0.77 PTPN11 (0.64) PTPN11DDB1CRBNADRA2ADRD5
SCHEMBL31747254 0.77 PTPN11 (0.64) PTPN11DDB1CRBNADRA2ADRD5
SCHEMBL11997705 0.76 PTPN11 (0.67) PTPN11DDB1CRBNADRA2ADRD5
SCHEMBL13290619 0.76 PTPN11 (0.67) PTPN11DDB1CRBNADRA2ADRD5

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117279636-A Methods and compounds for modulating myotonic muscular dystrophy type 1 设计治疗公司 2023-12-22 CN disclosed
CN-117241805-A Methods and compounds for treating friedel-crafts ataxia 设计治疗公司 2023-12-15 CN disclosed
EP-4274583-A2 METHODS AND COMPOUNDS FOR TREATING FRIEDREICH'S ATAXIA Design Therapeutics, Inc. (US) 2023-11-15 EP disclosed
EP-4259133-A1 METHODS AND COMPOUNDS FOR MODULATING MYOTONIC DYSTROPHY 1 Design Therapeutics, Inc. (US) 2023-10-18 EP disclosed
WO-2022126000-A1 METHODS AND COMPOUNDS FOR MODULATING MYOTONIC DYSTROPHY 1 Design Therapeutics, Inc. (US) 2022-06-16 WO disclosed