SCHEMBL9676702

SCHEMBL9676702

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ATP4A P20648 1/20 0.39
ATP4B P51164 1/20 0.39
ALDH1A1 P00352 4/20 0.39
RIPK1 Q13546 1/20 0.37
NPBWR1 P48145 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CHRNE Q04844 1/20 0.37
HTT P42858 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP19A1 P11511 2/20 0.36
MMP2 P08253 1/20 0.36

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
SCHEMBL6482665 0.85 ATP4A (0.39) MAPTATP4AATP4BHTTLMNA
SCHEMBL9396516 0.84 ATP4A (0.40) MAPTMEN1KMT2AATP4AATP4B
SCHEMBL9395786 0.83 ATP4A (0.39) MAPTMEN1KMT2AATP4AATP4B
SCHEMBL9395890 0.83 ATP4A (0.39) MAPTMEN1KMT2AATP4AATP4B
SCHEMBL3689535 0.82 ATP4A (0.52) MEN1KMT2AATP4AATP4BALDH1A1
SCHEMBL30637598 0.82 ATP4A (0.52) MEN1KMT2AATP4AATP4BALDH1A1
SCHEMBL10333180 0.82 MAPT (0.42) MAPTMEN1KMT2AALDH1A1RIPK1
SCHEMBL10703138 0.81 ATP4A (0.37) MAPTATP4AATP4BHTTLMNA
SCHEMBL9678832 0.81 ATP4A (0.39) MAPTMEN1KMT2AATP4AATP4B
SCHEMBL6475466 0.81 ATP4A (0.39) MAPTMEN1KMT2AATP4AATP4B

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 6 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
CN-85106252-A The preparation method of compound and application thereof 1986-06-10 CN 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
CN-85106252-A The preparation method of compound and application thereof 1986-06-10 CN disclosed
EP-0174717-A1 Benzimidazoles, and their production formulation and use as gastric acid secretion inhibitors FISONS plc (GB) 1986-03-19 EP disclosed