SCHEMBL9012107

SCHEMBL9012107

CN(C)c1ccccc1C[S+]([O-])c1nc2c([nH]1)CCCC2

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.35
ATP4A P20648 1/20 0.33
ATP4B P51164 1/20 0.33
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GLI1 P08151 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
AR P10275 1/20 0.30
HPGD P15428 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
SCHEMBL9012381 0.81 CHRNE (0.33) ATP4AATP4B
SCHEMBL9011936 0.81 ATP4A (0.33) ATP4AATP4BARHPGD
SCHEMBL9011927 0.77 KDM4E (0.32) GAAALDH1A1CYP3A4HPGD
SCHEMBL30637598 0.75 ATP4A (0.52) ACHEATP4AATP4BGAAL3MBTL1
SCHEMBL3689535 0.75 ATP4A (0.52) ACHEATP4AATP4BGAAL3MBTL1
SCHEMBL10726467 0.74 ATP4A (0.51) ACHEATP4AATP4BGAAL3MBTL1
SCHEMBL9012427 0.73 HPGD (0.51) ACHEGAAL3MBTL1HPGD
SCHEMBL9677027 0.72 KDM4E (0.39) ATP4AATP4BL3MBTL1ALDH1A1AR
SCHEMBL10912677 0.72 ATP4A (0.40) ATP4AATP4BGAAALDH1A1
SCHEMBL10478304 0.71 ATP4A (0.38) ATP4AATP4BAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5523317-A ADMINISTERING IMIDAZOLE DERIVATIVE NIPPON CHEMIPHAR CO., LTD. (JP) 1996-06-04 US disclosed
EP-0354788-B1 Novel imidazole derivatives NIPPON CHEMIPHAR CO (JP) 1995-09-13 EP disclosed
EP-0633026-A1 Use of imidazole derivative for antihypertensive agent NIPPON CHEMIPHAR CO., LTD. (JP) 1995-01-11 EP disclosed
EP-0584588-A1 Anti-ulcer composition containing imidazole derivative NIPPON CHEMIPHAR CO., LTD. (JP) 1994-03-02 EP disclosed
US-5180836-A Antiulcer agents NIPPON CHEMIPHAR CO., LTD. (JP) 1993-01-19 US disclosed
US-5082943-A Antiulcer NIPPON CHEMIPHAR CO., LTD. (JP) 1992-01-21 US disclosed
EP-0354788-A1 Novel imidazole derivatives NIPPON CHEMIPHAR CO., LTD. (JP) 1990-02-14 EP disclosed