SCHEMBL6958177

SCHEMBL6958177

COCCOC(=O)c1c(C)nc(C)c(C(=O)O)c1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 3/20 0.50
ACHE P22303 2/20 0.50
CACNA1H O95180 2/20 0.50
CACNA1B Q00975 2/20 0.50
CACNA1F O60840 2/20 0.50
CACNA1D Q01668 2/20 0.50
CACNA1S Q13698 2/20 0.50
CACNB4 O00305 1/20 0.50
CACNA1A O00555 1/20 0.50
CACNA1G O43497 1/20 0.50
CACNG3 O60359 1/20 0.50
BCHE P06276 1/20 0.50
CACNB3 P54284 1/20 0.50
CACNA2D1 P54289 1/20 0.50
CACNG7 P62955 1/20 0.50
CACNB1 Q02641 1/20 0.50
CACNG1 Q06432 1/20 0.50
CACNB2 Q08289 1/20 0.50
CACNA1E Q15878 1/20 0.50
CACNA2D4 Q7Z3S7 1/20 0.50

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
SCHEMBL6958184 1.00 CACNA1C (0.50) CACNA1CACHECACNA1HCACNA1BCACNA1F
SCHEMBL11007208 0.96 CACNA1C (0.53) CACNA1CACHECACNA1HCACNA1BCACNA1F
SCHEMBL28404812 0.91 ALDH1A1 (0.53) CACNA1CACHECACNA1HCACNA1BCACNA1F
SCHEMBL7421872 0.89 MAPT (0.63) CACNA1CACHECACNA1HCACNA1BCACNA1F
SCHEMBL6955515 0.89 KMT2A (0.58) CACNA1CACHECACNA1HCACNA1BCACNA1F
SCHEMBL29415357 0.89 KMT2A (0.58) CACNA1CACHECACNA1HCACNA1BCACNA1F
SCHEMBL31758234 0.89 KMT2A (0.58) CACNA1CACHECACNA1HCACNA1BCACNA1F
SCHEMBL4384277 0.87 ALDH1A1 (0.64) CACNA1CACHECACNA1HCACNA1BCACNA1F
SCHEMBL6956520 0.87 ALDH1A1 (0.64) CACNA1CACHECACNA1HCACNA1BCACNA1F
SCHEMBL22747316 0.86 CACNA1B (0.64) CACNA1CACHECACNA1HCACNA1BCACNA1F

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
EP-1023267-B1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL SA (CH) 2003-09-17 EP claimed
US-4497821-A Medicaments having antihypoxic and ischaemia-protective activity BAYER AKTIENGESELLSCHAFT (DE) 1985-02-05 US disclosed