SCHEMBL2201232

SCHEMBL2201232

Nc1nc(Cl)nc(Nc2ccc(C=Cc3ccc(Nc4nc(N)nc(Cl)n4)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.44
CHAT P28329 3/20 0.44
USP2 O75604 1/20 0.44
APEX1 P27695 1/20 0.44
HPGDS O60760 1/20 0.44
CA12 O43570 9/20 0.43
CA1 P00915 9/20 0.43
CA2 P00918 9/20 0.43
CA9 Q16790 9/20 0.43
CA14 Q9ULX7 3/20 0.43
ENPP3 O14638 1/20 0.43
ENPP1 P22413 1/20 0.43
P2RX7 Q99572 1/20 0.41
P2RX2 Q9UBL9 1/20 0.41
PTGS2 P35354 1/20 0.40
TERT O14746 1/20 0.39
CA5A P35218 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL12935282 1.00 ENPP2 (0.44) ENPP2CHATUSP2APEX1HPGDS
SCHEMBL2222351 0.99 CHAT (0.46) ENPP2CHATUSP2APEX1HPGDS
Calcium SCHEMBL2221866 0.99 CHAT (0.43) ENPP2CHATUSP2APEX1HPGDS
SCHEMBL4425719 0.99 CHAT (0.43) ENPP2CHATUSP2APEX1HPGDS
SCHEMBL26978147 0.99 CHAT (0.43) ENPP2CHATUSP2APEX1HPGDS
Potassium SCHEMBL2221663 0.99 CHAT (0.43) ENPP2CHATUSP2APEX1HPGDS
SCHEMBL14391286 0.93 CA12 (0.51) CHATUSP2APEX1HPGDSCA12
SCHEMBL12935319 0.93 ENPP2 (0.42) ENPP2CHATUSP2APEX1HPGDS
SCHEMBL2219756 0.92 CHAT (0.42) ENPP2CHATUSP2APEX1HPGDS
SCHEMBL2219162 0.92 CHAT (0.42) ENPP2CHATUSP2APEX1HPGDS

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 7 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-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
EP-2345541-B1 Thermosensitive recording material and image recording method RICOH CO LTD (JP) 2012-08-29 EP disclosed
US-20110177941-A1 THERMOSENSITIVE RECORDING MATERIAL AND IMAGE RECORDING METHOD RICOH COMPANY, LTD. (JP) 2011-07-21 US disclosed
EP-2345541-A2 Thermosensitive recording material and image recording method Ricoh Company, Ltd. (JP) 2011-07-20 EP disclosed