SCHEMBL711944

SCHEMBL711944

FC(F)(F)c1ccc2[nH]c(S)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 3/20 0.43
KIF11 P52732 6/20 0.42
KDM4E B2RXH2 2/20 0.42
METAP2 P50579 1/20 0.42
DGAT1 O75907 2/20 0.41
KCNH2 Q12809 2/20 0.41
CHUK O15111 1/20 0.41
DYRK1A Q13627 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
CBFB Q13951 1/20 0.39
BACE1 P56817 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.38

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
SCHEMBL2107034 0.86 NPBWR1 (0.58) NPBWR1DGAT1KCNH2DYRK1ADYRK1B
SCHEMBL18931745 0.82 SCN10A (0.45) KIF11METAP2KCNH2CHUKDYRK1A
SCHEMBL5681855 0.80 NPSR1 (0.59) NPBWR1KIF11KDM4EMETAP2DGAT1
SCHEMBL8710496 0.79 SCN10A (0.33) KIF11KCNH2SCN10A
SCHEMBL2711960 0.79 KDM4E (0.50) NPBWR1KIF11KDM4EMETAP2DGAT1
SCHEMBL5679579 0.79 MAPT (0.57) NPBWR1KIF11KDM4EMETAP2DGAT1
SCHEMBL666767 0.79 NPBWR1 (0.43) NPBWR1KIF11KDM4EMETAP2DGAT1
SCHEMBL2360716 0.79 MASP2 (0.48) NPBWR1KIF11KDM4EMETAP2DGAT1
SCHEMBL21496795 0.79 NPBWR1 (0.43) NPBWR1KIF11KDM4EMETAP2DGAT1
SCHEMBL18628731 0.79 NPBWR1 (0.43) NPBWR1KIF11KDM4EMETAP2DGAT1

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 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5106863-A Antiulcer agents, gastrointestinal disorders ORTHO PHARMACEUTICAL CORPORATION (US) 1992-04-21 US claimed
JP-63150286-A None JP disclosed
US-8163768-B2 4-(4-Hydroxy-3-methyl-phenyl)-2,4,6,7,8,9-hexahydro-pyrazolo[3,4-b]-1,7-naphthyridin-5-one; inhibiting Aurora kinase; inhibiting the proliferation of tumor cells; cancer, psoriasis, leukaemia and lupus AVENTIS PHARMA S.A.. (FR) 2012-04-24 US disclosed
US-8124780-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-02-28 US disclosed
US-8124780-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-02-28 US disclosed
US-8124780-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-02-28 US disclosed
EP-1910366-B1 1,4-DIHYDROPYRIDINE-FUSED HETEROCYCLES, PROCESS FOR PREPARING THE SAME, USE AND COMPOSITIONS CONTAINING THEM AVENTIS PHARMA SA (FR) 2011-08-24 EP disclosed
EP-1870409-B1 BENZIMIDAZOLE COMPOUNDS EISAI R&D MAN CO LTD (JP) 2010-05-12 EP disclosed
EP-1870409-B1 BENZIMIDAZOLE COMPOUNDS EISAI R&D MAN CO LTD (JP) 2010-05-12 EP disclosed
EP-1746097-B1 1,4-dihydropyridine-fused heterocycles, process for preparing the same, use and compositions containing them AVENTIS PHARMA SA (FR) 2010-01-13 EP disclosed
US-4721718-A 2-[(imidazo[1,2-a]pyridin-3-ylmethyl)sulfinyl]-1H-benzimidazoles useful in the treatment and prevention of ulcers G. D. SEARLE & CO. (US) 1988-01-26 US 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
US-4687775-A ANTIULCER AGENTS G. D. SEARLE & CO. (US) 1987-08-18 US disclosed
EP-0214479-A2 Benzimidazol-2-ylpyridinium compounds F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1987-03-18 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
CN-86104636-A Produce the method for pyridine derivate 1987-01-28 CN disclosed
EP-0208452-A2 Pyridine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-01-14 EP disclosed
EP-0204215-A1 2-[(1H-benzimidazol-2-ylsulfinyl)methyl]-benzenamines G.D. Searle & Co. (US) 1986-12-10 EP disclosed
US-4472409-A ANTIULCER AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-09-18 US disclosed
EP-0080602-A1 Substituted benzimidazoles, process for their preparation, their use and medicaments containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1983-06-08 EP disclosed