SCHEMBL9529518

SCHEMBL9529518

Cc1cccnc1C[S+]([O-])c1nc2cc(OC(F)(F)C(F)F)c(OC(F)(F)F)cc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 7/20 0.35
ATP4B P51164 7/20 0.35
ATP1A1 P05023 5/20 0.35
ATP1B1 P05026 5/20 0.35
ATP1A3 P13637 5/20 0.35
ATP1B2 P14415 5/20 0.35
ATP1A2 P50993 5/20 0.35
ATP1B3 P54709 5/20 0.35
FXYD2 P54710 5/20 0.35
ATP1A4 Q13733 5/20 0.35
RUNX1 Q01196 3/20 0.32
CBFB Q13951 2/20 0.32
S1PR2 O95136 1/20 0.30
EGLN1 Q9GZT9 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
SCHEMBL9527817 0.91 ATP4A (0.36) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL9527288 0.87 TRPV1 (0.33) RUNX1CBFBS1PR2
SCHEMBL9527362 0.85 ATP4A (0.40) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL9531500 0.85 ATP4A (0.44) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL9527293 0.83 ATP4A (0.51) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL9527334 0.82 CBFB (0.40) RUNX1CBFB
SCHEMBL9528095 0.82 ATP4A (0.50) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL9526351 0.81 ATP4A (0.50) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL9527418 0.80 CYP1A2 (0.45) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL9527809 0.79 ATP4A (0.45) ATP4AATP4BATP1A1ATP1B1ATP1A3

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-0134400-B1 FLUOROALKOXYSUBSTITUTED PYRIDYLMETHYLTHIO-(OR SULFINYL-)BENZIMIDAZOLES HAVING A SECRETOLYTIC ACTIVITY Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1993-03-24 EP disclosed
US-4555518-A ANTIULCER AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1985-11-26 US disclosed