SCHEMBL9802855

SCHEMBL9802855

CN(c1ccccc1)C(c1ccccc1)[S+]([O-])c1nccn1-c1ccccn1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.33
TSHR P16473 1/20 0.33
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
CHRM2 P08172 1/20 0.30
SCN1A P35498 1/20 0.30
SCN2A Q99250 1/20 0.30
SCN3A Q9NY46 1/20 0.30
POLB P06746 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ADRB2 P07550 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
SCHEMBL9012047 0.89 KDM4E (0.34) KDM4ETSHRSLC6A2SLC6A4CHRM2
SCHEMBL9011926 0.73 KDR (0.32)
SCHEMBL9234932 0.72 OPRL1 (0.33)
SCHEMBL9802764 0.71 KDM4E (0.34) KDM4ETSHRSLC6A2SLC6A4CHRM2
SCHEMBL9012001 0.71 ALDH1A1 (0.37) KDM4ETSHRALDH1A1ADRB2
SCHEMBL9011954 0.71 KDM4E (0.32) KDM4E
SCHEMBL9012267 0.69 KDM4E (0.39) KDM4ETSHRALDH1A1ADRB2
SCHEMBL9666065 0.68 ALDH1A1 (0.32) KDM4ETSHRPOLBALDH1A1
SCHEMBL9011984 0.66
SCHEMBL9802864 0.63 KDM4E (0.33) KDM4ETSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5053417-A Antiulcer agents TANABE SEIYAKU CO., LTD. (JP) 1991-10-01 US disclosed
US-5002945-A Antiulcer agents TANABE SEIYAKU CO. LTD. (JP) 1991-03-26 US disclosed
US-4996217-A Antiulcer agents TANABE SEIYAKU COMPANY, LTD. (JP) 1991-02-26 US disclosed
EP-0270091-A1 Imidazole derivatives, processes for the preparation of the same, pharmaceutical compositions comprising the same, the use of the same for the manufacture of medicaments of therapeutic value, and intermediates formed during said processes TANABE SEIYAKU CO., LTD. (JP) 1988-06-08 EP disclosed