SCHEMBL9675801

SCHEMBL9675801

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 3/20 0.37
ATP4B P51164 3/20 0.37
NPBWR1 P48145 2/20 0.34
DGAT1 O75907 1/20 0.33
KCNH2 Q12809 1/20 0.33
KIF11 P52732 2/20 0.33
IDO1 P14902 1/20 0.32
CBFB Q13951 1/20 0.32
DHFR P00374 3/20 0.31
PDE10A Q9Y233 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
IDH2 P48735 1/20 0.31
CYP3A4 P08684 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
SCHEMBL10713745 0.85 RUNX1 (0.35) ATP4AATP4BCYP3A4CYP2D6
SCHEMBL10711681 0.85 CACNA1D (0.36) DHFR
SCHEMBL10713992 0.85 CACNA1D (0.36) DHFR
SCHEMBL10713678 0.85 F7 (0.33) NPBWR1KIF11DHFRIDH2
SCHEMBL9278762 0.84 ATP4A (0.47) ATP4AATP4BNPBWR1DGAT1KCNH2
SCHEMBL9396516 0.84 ATP4A (0.40) ATP4AATP4BCYP2D6
SCHEMBL10713705 0.84 DHFR (0.34) NPBWR1KIF11DHFRPDE10AIDH2
SCHEMBL10711415 0.84 KDM4E (0.35) ATP4AATP4BDHFR
SCHEMBL9395786 0.84 ATP4A (0.39) ATP4AATP4B
SCHEMBL6482665 0.84 ATP4A (0.39) ATP4AATP4B

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0174717-B1 BENZIMIDAZOLES, AND THEIR PRODUCTION FORMULATION AND USE AS GASTRIC ACID SECRETION INHIBITORS FISONS plc (GB) 1992-01-22 EP claimed
EP-0232399-A1 NEW AMINES, PROCESS FOR THEIR MANUFACTURE, THEIR USE AND MEDICINES CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1987-08-19 EP claimed
WO-1987001114-A2 NEW AMINES, PROCESS FOR THEIR MANUFACTURE, THEIR USE AND MEDICINES CONTAINING THEM BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1987-02-26 WO claimed
EP-0174717-A1 Benzimidazoles, and their production formulation and use as gastric acid secretion inhibitors FISONS plc (GB) 1986-03-19 EP claimed
EP-0174717-B1 BENZIMIDAZOLES, AND THEIR PRODUCTION FORMULATION AND USE AS GASTRIC ACID SECRETION INHIBITORS FISONS plc (GB) 1992-01-22 EP disclosed
EP-0232399-A1 NEW AMINES, PROCESS FOR THEIR MANUFACTURE, THEIR USE AND MEDICINES CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1987-08-19 EP disclosed
WO-1987001114-A2 NEW AMINES, PROCESS FOR THEIR MANUFACTURE, THEIR USE AND MEDICINES CONTAINING THEM BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1987-02-26 WO disclosed
EP-0174717-A1 Benzimidazoles, and their production formulation and use as gastric acid secretion inhibitors FISONS plc (GB) 1986-03-19 EP disclosed