SCHEMBL4650607

SCHEMBL4650607

CN(C)c1ccc(-c2nc(-c3ccc(C=Cc4ccc(-c5nc(-c6ccc(N(C)C)cc6)c(-c6ccccc6)o5)cc4)cc3)oc2-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.51
NOX1 Q9Y5S8 1/20 0.46
APP P05067 3/20 0.45
MAPT P10636 7/20 0.44
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
NPC1 O15118 5/20 0.44
MAPK1 P28482 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
HBB P68871 2/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
GAA P10253 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL4650606 1.00 RELA (0.51) RELANOX1APPMAPTMEN1
SCHEMBL4652223 1.00 RELA (0.51) RELANOX1APPMAPTMEN1
SCHEMBL4652218 1.00 RELA (0.51) RELANOX1APPMAPTMEN1
SCHEMBL13979705 1.00 RELA (0.51) RELANOX1APPMAPTMEN1
SCHEMBL8172158 0.92 NOX1 (0.52) NOX1APPMAPTMEN1KMT2A
SCHEMBL6964144 0.92 NOX1 (0.52) NOX1APPMAPTMEN1KMT2A
SCHEMBL19700319 0.92 NOX1 (0.52) NOX1APPMAPTMEN1KMT2A
SCHEMBL4651367 0.92 NOX1 (0.52) NOX1APPMAPTMEN1KMT2A
SCHEMBL4651333 0.91 RELA (0.43) RELANOX1APPMAPTMEN1
SCHEMBL13979708 0.91 RELA (0.43) RELANOX1APPMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1849042-B1 PROCESS FOR THE PRODUCTION OF LITHOGRAPHIC PRINTING PLATES KODAK GRAPHIC COMM GMBH (DE) 2008-12-10 EP disclosed
EP-1774404-B1 LITHOGRAPHIC PRINTING PLATES WITH HIGH PRINT RUN STABILITY KODAK GRAPHIC COMM GMBH (DE) 2008-09-17 EP disclosed
US-20080145790-A1 Process for Production of Lithographic Printing Plates KODAK POLYCHROME GRAPHICS, GMBH (DE) 2008-06-19 US disclosed
US-20070184381-A1 Lithographic printing plates with high print run stability KODAK POLYCHROME GRAPHICS, GMBH (DE) 2007-08-09 US disclosed
EP-1774404-A2 LITHOGRAPHIC PRINTING PLATES WITH HIGH PRINT RUN STABILITY Kodak Polychrome Graphics GmbH (DE) 2007-04-18 EP disclosed
WO-2006008073-A2 LITHOGRAPHIC PRINTING PLATES WITH HIGH PRINT RUN STABILITY KODAK POLYCHROME GRAPHICS GMBH (DE) 2006-01-26 WO disclosed