SCHEMBL9527362

SCHEMBL9527362

Cc1cccnc1C[S+]([O-])c1nc2cc(OC(F)(F)C(F)F)ccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 6/20 0.40
ATP4B P51164 6/20 0.40
ATP1A1 P05023 4/20 0.40
ATP1B1 P05026 4/20 0.40
ATP1A3 P13637 4/20 0.40
ATP1B2 P14415 4/20 0.40
ATP1A2 P50993 4/20 0.40
ATP1B3 P54709 4/20 0.40
FXYD2 P54710 4/20 0.40
ATP1A4 Q13733 4/20 0.40
TRPV1 Q8NER1 2/20 0.34
RUNX1 Q01196 4/20 0.32
CBFB Q13951 2/20 0.32
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2E1 P05181 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C8 P10632 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL9527334 0.91 CBFB (0.40) TRPV1RUNX1CBFBPDE2A
SCHEMBL9527662 0.90 RUNX1 (0.33) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL9528109 0.89 CYP3A4 (0.40) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL9527256 0.89 CBFB (0.34) RUNX1CBFB
SCHEMBL9527204 0.87 ATP4A (0.39) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL9526251 0.87 ATP4A (0.38) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL9529518 0.85 ATP4A (0.35) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL9526343 0.84 ATP4A (0.56) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL9527251 0.84 ATP4A (0.47) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL6873282 0.83 ATP4A (0.44) 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