SCHEMBL2203489

SCHEMBL2203489

COc1nc(Cl)nc(Nc2ccc(C=Cc3ccc(Nc4nc(Nc5ccccc5)nc(OC)n4)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA9 Q16790 4/20 0.46
CA12 O43570 3/20 0.46
P2RY2 P41231 1/20 0.45
P2RY12 Q9H244 1/20 0.45
MAPT P10636 3/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CHAT P28329 3/20 0.43
USP2 O75604 1/20 0.43
APEX1 P27695 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTK2 Q05397 1/20 0.42
APP P05067 2/20 0.42
ENPP3 O14638 1/20 0.42

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
SCHEMBL2218470 0.99 CA1 (0.47) CA1CA2CA9CA12P2RY2
SCHEMBL2205677 0.94 CA1 (0.46) CA1CA2CA9CA12MAPT
SCHEMBL2204401 0.94 MAPT (0.46) CA1CA2CA9CA12P2RY2
SCHEMBL30855382 0.94 CA1 (0.46) CA1CA2CA9CA12MAPT
SCHEMBL31310170 0.94 CA1 (0.46) CA1CA2CA9CA12MAPT
SCHEMBL8649081 0.94 CA1 (0.46) CA1CA2CA9CA12MAPT
SCHEMBL8411089 0.93 CA1 (0.45) CA1CA2CA9CA12MAPT
Potassium SCHEMBL2219777 0.93 MAPT (0.45) CA1CA2CA9CA12P2RY2
SCHEMBL8411116 0.93 CA1 (0.48) CA1CA2CA9CA12MAPT
SCHEMBL2204866 0.93 CA1 (0.48) CA1CA2CA9CA12MAPT

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
EP-2716466-B1 THERMAL RECORDING MATERIAL CONTAINING STILBENE DISULPHONIC ACID FLUORESCENT WHITENING AGENT RICOH IND FRANCE SAS (FR) 2016-09-14 EP disclosed
EP-2722190-B1 Optimized undercoat for thermal recording material RICOH IND FRANCE SAS (FR) 2015-12-16 EP disclosed
EP-2345541-B1 Thermosensitive recording material and image recording method RICOH CO LTD (JP) 2012-08-29 EP disclosed
EP-2345541-A2 Thermosensitive recording material and image recording method Ricoh Company, Ltd. (JP) 2011-07-20 EP disclosed