SCHEMBL9526554

SCHEMBL9526554

COc1ccnc(CSc2nc3cc(OC(F)F)c(OC(F)F)cc3[nH]2)c1C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 8/20 0.63
ATP4B P51164 8/20 0.63
ATP1A1 P05023 5/20 0.63
ATP1B1 P05026 5/20 0.63
ATP1A3 P13637 5/20 0.63
ATP1B2 P14415 5/20 0.63
ATP1A2 P50993 5/20 0.63
ATP1B3 P54709 5/20 0.63
FXYD2 P54710 5/20 0.63
ATP1A4 Q13733 5/20 0.63
CYP3A4 P08684 5/20 0.52
CYP2C9 P11712 5/20 0.52
CYP1A2 P05177 4/20 0.52
CYP2D6 P10635 4/20 0.52
CYP2C19 P33261 4/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
BRS3 P32247 1/20 0.46
CYP2E1 P05181 3/20 0.45
CYP2C8 P10632 3/20 0.45

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
SCHEMBL9527343 0.99 ATP4A (0.65) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL11000676 0.94 ATP4A (0.56) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL9687825 0.94 ATP4A (0.56) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL11004083 0.93 ATP4A (0.66) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL9688883 0.90 ATP4A (0.55) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL6882567 0.90 ATP4A (0.63) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL6882433 0.89 ATP4A (0.65) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL9527620 0.88 ATP4A (0.55) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL9526786 0.87 CYP1A2 (0.55) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL9687838 0.87 ATP4A (0.50) 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 5 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 claimed
EP-0134400-A2 Fluoroalkoxysubstituted pyridylmethylthio-(or sulfinyl-)benzimidazoles having a secretolytic activity Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1985-03-20 EP claimed
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
EP-0134400-A2 Fluoroalkoxysubstituted pyridylmethylthio-(or sulfinyl-)benzimidazoles having a secretolytic activity Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1985-03-20 EP disclosed