SCHEMBL10697978

SCHEMBL10697978

CN(C)c1ccccc1C[S+]([O-])c1nc2cc(CO)ccc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 1/20 0.38
ATP4B P51164 1/20 0.38
CBFB Q13951 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SLC40A1 Q9NP59 1/20 0.32
APP P05067 1/20 0.30

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
SCHEMBL6482665 0.87 ATP4A (0.39) ATP4AATP4BSLC40A1APP
SCHEMBL9396516 0.85 ATP4A (0.40) ATP4AATP4BHSD17B10
SCHEMBL9395786 0.84 ATP4A (0.39) ATP4AATP4B
SCHEMBL9395890 0.84 ATP4A (0.39) ATP4AATP4BHSD17B10
SCHEMBL30637598 0.84 ATP4A (0.52) ATP4AATP4BHSD17B10SLC40A1
SCHEMBL3689535 0.84 ATP4A (0.52) ATP4AATP4BHSD17B10SLC40A1
SCHEMBL10703138 0.83 ATP4A (0.37) ATP4AATP4BAPP
SCHEMBL9678832 0.83 ATP4A (0.39) ATP4AATP4BSLC40A1
SCHEMBL6475466 0.83 ATP4A (0.39) ATP4AATP4BHSD17B10SLC40A1
SCHEMBL9677027 0.83 KDM4E (0.39) ATP4AATP4BHSD17B10

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-0251536-A1 Benzimidazoles, their production, formulation and use as gastric acid secretion inhibitors FISONS plc (GB) 1988-01-07 EP claimed
EP-0251536-A1 Benzimidazoles, their production, formulation and use as gastric acid secretion inhibitors FISONS plc (GB) 1988-01-07 EP disclosed