SCHEMBL24510730

SCHEMBL24510730

CC(C)(C)OC(=O)NCc1nc2ccc(OCc3ccccc3)cc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.53
▸ MAOB P27338 6/20 0.52
▸ MAOA P21397 3/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CACNA1H O95180 1/20 0.46
▸ CACNA1B Q00975 1/20 0.46
▸ CACNA1C Q13936 1/20 0.46
▸ GCGR P47871 1/20 0.46
▸ CHEK2 O96017 1/20 0.46
▸ HDAC1 Q13547 1/20 0.45
▸ BCHE P06276 1/20 0.44
▸ MMP13 P45452 1/20 0.44
▸ MMP9 P14780 1/20 0.44

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
SCHEMBL12635714 0.84 EGLN1 (0.54) SMN1; SMN2CACNA1HCACNA1BCACNA1C
SCHEMBL23448916 0.81 PKM (0.55) MAOBMAOASMN1; SMN2MMP9
SCHEMBL6297783 0.80 BCHE (0.65) PTPN1SMN1; SMN2CACNA1HCACNA1BCACNA1C
SCHEMBL30130002 0.80 MAOA (0.60) PTPN1MAOBMAOASMN1; SMN2HDAC1
SCHEMBL19494569 0.80 SMN1; SMN2 (0.62) SMN1; SMN2CACNA1HCACNA1BCACNA1CBCHE
SCHEMBL23459076 0.79 CACNA1H (0.51) PTPN1SMN1; SMN2CACNA1HCACNA1BCACNA1C
SCHEMBL29919434 0.79 CACNA1H (0.51) PTPN1SMN1; SMN2CACNA1HCACNA1BCACNA1C
SCHEMBL23731882 0.79 CACNA1H (0.53) SMN1; SMN2CACNA1HCACNA1BCACNA1CHDAC1
SCHEMBL15243340 0.79 CACNA1H (0.53) SMN1; SMN2CACNA1HCACNA1BCACNA1CBCHE
SCHEMBL15584671 0.79 CACNA1H (0.53) PTPN1SMN1; SMN2CACNA1HCACNA1BCACNA1C

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 2 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
WO-2022126000-A1 METHODS AND COMPOUNDS FOR MODULATING MYOTONIC DYSTROPHY 1 Design Therapeutics, Inc. (US) 2022-06-16 — — WO disclosed
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