SCHEMBL9012047

SCHEMBL9012047

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.34
TSHR P16473 1/20 0.34
CHRM2 P08172 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SCN1A P35498 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 2/20 0.32
ADRB2 P07550 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTR1A P08908 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
SCHEMBL9802855 0.89 KDM4E (0.33) KDM4ETSHRCHRM2SLC6A2SLC6A4
SCHEMBL9011926 0.83 KDR (0.32)
SCHEMBL9234932 0.82 OPRL1 (0.33) NPSR1
SCHEMBL9011954 0.81 KDM4E (0.32) KDM4E
SCHEMBL9012001 0.74 ALDH1A1 (0.37) KDM4ETSHRALDH1A1ADRB2NPSR1
SCHEMBL9012267 0.71 KDM4E (0.39) KDM4ETSHRALDH1A1ADRB2NPSR1
SCHEMBL9011984 0.68
SCHEMBL9666065 0.66 ALDH1A1 (0.32) KDM4ETSHRPOLBALDH1A1
SCHEMBL9802864 0.65 KDM4E (0.33) KDM4ETSHRPOLBNPSR1
SCHEMBL9802979 0.65 KDM4E (0.37) KDM4ETSHR

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 2 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-0633026-A1 Use of imidazole derivative for antihypertensive agent NIPPON CHEMIPHAR CO., LTD. (JP) 1995-01-11 EP disclosed