SCHEMBL11197176

SCHEMBL11197176

COCCOC(=O)Oc1c(C)nc2c(c1-c1cccc([N+](=O)[O-])c1)C(=O)OC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1C Q13936 3/20 0.39
▸ ACHE P22303 2/20 0.39
▸ CACNA1F O60840 2/20 0.39
▸ CACNA1D Q01668 2/20 0.39
▸ CACNA1S Q13698 2/20 0.39
▸ CACNA1H O95180 2/20 0.39
▸ CACNA1B Q00975 2/20 0.39
▸ CACNB4 O00305 1/20 0.39
▸ CACNA1A O00555 1/20 0.39
▸ CACNA1G O43497 1/20 0.39
▸ CACNG3 O60359 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ CACNB3 P54284 1/20 0.39
▸ CACNA2D1 P54289 1/20 0.39
▸ CACNG7 P62955 1/20 0.39
▸ CACNB1 Q02641 1/20 0.39
▸ CACNG1 Q06432 1/20 0.39
▸ CACNB2 Q08289 1/20 0.39
▸ CACNA1E Q15878 1/20 0.39
▸ CACNA2D4 Q7Z3S7 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
SCHEMBL10914189 0.92 ACHE (0.39) CACNA1CACHECACNA1FCACNA1DCACNA1S
SCHEMBL10921450 0.89 ALDH1A1 (0.44) CACNA1CACHECACNA1FCACNA1DCACNA1S
SCHEMBL10921757 0.86 KMT2A (0.47) CACNA1CACHECACNA1FCACNA1DCACNA1S
SCHEMBL11006831 0.86 ACHE (0.49) CACNA1CACHECACNA1FCACNA1DCACNA1S
SCHEMBL10970619 0.85 ALDH1A1 (0.38) CACNA1CACHECACNA1FCACNA1DCACNA1S
SCHEMBL10924991 0.83 KMT2A (0.44) CACNA1CACHECACNA1FCACNA1DCACNA1S
SCHEMBL10915340 0.81 MEN1 (0.52) CACNA1CACHECACNA1FCACNA1DCACNA1S
SCHEMBL11009673 0.78 ALDH1A1 (0.55) CACNA1CACHECACNA1FCACNA1DCACNA1S
SCHEMBL10744670 0.78 ACHE (0.49) CACNA1CACHECACNA1FCACNA1DCACNA1S
SCHEMBL10923467 0.77 ALDH1A1 (0.44) CACNA1CACHECACNA1FCACNA1DCACNA1S

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-0088938-A1 Use of pyridine compounds for the manufacture of medicaments with an antihypoxemia and ischemia-protective activity BAYER AG (DE) 1983-09-21 — — EP disclosed
EP-0088940-A1 Pyridine-carboxylic-acid esters, process for their preparation and their use as pharmaceutical compositions BAYER AG (DE) 1983-09-21 — — EP disclosed
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