SCHEMBL2218667

SCHEMBL2218667

COc1nc(Nc2ccccc2)nc(Nc2ccc(C=Cc3ccc(Nc4nc(OC)nc(OC)n4)cc3S(=O)(=O)[O-])c(S(=O)(=O)O)c2)n1.[H+].[KH]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA9 Q16790 3/20 0.45
RAD51 Q06609 3/20 0.43
MAPT P10636 3/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDR P35968 1/20 0.40
P2RY2 P41231 1/20 0.40
P2RY12 Q9H244 1/20 0.40
LMNA P02545 2/20 0.39
ENPP2 Q13822 1/20 0.39
MAPK1 P28482 1/20 0.39
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 2/20 0.37
SNCA P37840 1/20 0.37
CA12 O43570 1/20 0.37
HPGD P15428 1/20 0.36
MEN1 O00255 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
SCHEMBL2220308 0.98 CA1 (0.45) CA1CA2CA9RAD51MAPT
SCHEMBL2204866 0.93 CA1 (0.48) CA1CA2CA9MAPTHTT
Potassium Ion SCHEMBL2217018 0.92 CA1 (0.50) CA1CA2CA9RAD51MAPT
SCHEMBL2221118 0.92 CA1 (0.50) CA1CA2CA9RAD51MAPT
SCHEMBL2221122 0.92 CA1 (0.50) CA1CA2CA9MAPTHTT
Potassium SCHEMBL2217024 0.92 CA1 (0.47) CA1CA2CA9MAPTHTT
SCHEMBL8649081 0.92 CA1 (0.46) CA1CA2CA9MAPTHTT
SCHEMBL30855382 0.92 CA1 (0.46) CA1CA2CA9MAPTHTT
SCHEMBL31310170 0.92 CA1 (0.46) CA1CA2CA9MAPTHTT
SCHEMBL2205677 0.92 CA1 (0.46) CA1CA2CA9MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2722190-A1 Optimized undercoat for thermal recording material Ricoh Industrie France SAS (FR) 2014-04-23 EP disclosed
US-8546300-B2 Thermosensitive recording material and image recording method RICOH COMPANY, LTD. (JP) 2013-10-01 US disclosed
US-20110177941-A1 THERMOSENSITIVE RECORDING MATERIAL AND IMAGE RECORDING METHOD RICOH COMPANY, LTD. (JP) 2011-07-21 US disclosed