SCHEMBL9803159

SCHEMBL9803159

CC(=O)Nc1ccccc1C[S+]([O-])c1nccn1-c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 2/20 0.39
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37
GRM5 P41594 1/20 0.36
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR1A P08908 3/20 0.35
HTR2A P28223 3/20 0.35
DRD2 P14416 2/20 0.35
HTR2C P28335 2/20 0.35
HTR7 P34969 2/20 0.35
DRD3 P35462 2/20 0.35
KIT P10721 1/20 0.35
FLT3 P36888 1/20 0.35
DRD4 P21917 1/20 0.35
ATM Q13315 1/20 0.34
TSPO P30536 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL9803014 0.88 GRM5 (0.40) PTK2KDM4ETSHRGRM5GAA
SCHEMBL9666016 0.85 PTK2 (0.39) PTK2KDM4ETSHR
SCHEMBL9802728 0.85 GAA (0.36) PTK2TSHRGAATHRBMEN1
SCHEMBL9802985 0.81 KDM4E (0.38) PTK2KDM4EGRM5GAATHRB
SCHEMBL9802979 0.81 KDM4E (0.37) KDM4ETSHR
SCHEMBL27274296 0.79 PTK2 (0.37) PTK2HTR1AFLT3
SCHEMBL9803146 0.77 ORAI1 (0.35) KDM4E
SCHEMBL9012258 0.77 KDM4E (0.38) PTK2KDM4EGAADRD2DRD3
SCHEMBL9666990 0.77 KDM4E (0.35) PTK2KDM4ETSHRFLT3
SCHEMBL9802711 0.77 ALDH1A1 (0.34) GAAMEN1KMT2AHTR1AHTR2A

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