SCHEMBL29615656

SCHEMBL29615656

CC(C)(C)OC(=O)NCc1nc2cc(C(=O)O)ccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.52
CACNA1B Q00975 1/20 0.52
CACNA1C Q13936 1/20 0.52
TSHR P16473 2/20 0.46
CYP1A2 P05177 1/20 0.46
MAPK10 P53779 1/20 0.45
BCHE P06276 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
BRD4 O60885 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
APEX1 P27695 1/20 0.43
KDM4E B2RXH2 1/20 0.42
RECQL P46063 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
HPN P05981 1/20 0.41
PTPN1 P18031 1/20 0.41
KDM4A O75164 1/20 0.40
TOP2A P11388 1/20 0.40
ACACB O00763 1/20 0.39

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
SCHEMBL24507620 1.00 CACNA1H (0.52) CACNA1HCACNA1BCACNA1CTSHRCYP1A2
SCHEMBL1507162 0.90 CACNA1H (0.51) CACNA1HCACNA1BCACNA1CTSHRMAPK10
SCHEMBL15173223 0.87 BRD4 (0.49) CACNA1HCACNA1BCACNA1CCYP1A2BCHE
SCHEMBL30313258 0.86 CACNA1H (0.54) CACNA1HCACNA1BCACNA1CTSHRCYP1A2
SCHEMBL4149629 0.85 CACNA1H (0.53) CACNA1HCACNA1BCACNA1CTSHRMAPK10
SCHEMBL22013237 0.85 CACNA1H (0.53) CACNA1HCACNA1BCACNA1CTSHRMAPK10
SCHEMBL29613729 0.85 CACNA1H (0.53) CACNA1HCACNA1BCACNA1CTSHRMAPK10
SCHEMBL22775707 0.85 CACNA1H (0.53) CACNA1HCACNA1BCACNA1CTSHRMAPK10
SCHEMBL38661238 0.84 CACNA1H (0.52) CACNA1HCACNA1BCACNA1CTSHRCYP1A2
SCHEMBL38662380 0.83 CACNA1B (0.65) CACNA1HCACNA1BCACNA1CTSHRMAPK10

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
EP-4259607-A1 BENZIMIDAZOLE DERIVATIVES FOR TREATING RESPIRATORY DISEASE TMEM16A LIMITED (GB) 2023-10-18 EP disclosed
CN-116745267-A Benzimidazole derivatives for the treatment of respiratory diseases 跨膜蛋白16A有限公司 2023-09-12 CN disclosed
WO-2022123314-A1 BENZIMIDAZOLE DERIVATIVES FOR TREATING RESPIRATORY DISEASE TMEM16A LIMITED (GB) 2022-06-16 WO disclosed