SCHEMBL5202759

SCHEMBL5202759

Cc1cccc(-c2cc(-c3ccc(N(c4ccccc4)c4cccc(C)c4)cc3)ccc2Nc2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.41
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
THRB P10828 1/20 0.36
PKM P14618 1/20 0.36
ALK Q9UM73 1/20 0.35
ENPP3 O14638 1/20 0.35
ADORA1 P30542 1/20 0.34
HDAC2 Q92769 1/20 0.34
PTGER4 P35408 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
MCL1 Q07820 1/20 0.33
FLT1 P17948 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33

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
SCHEMBL24705722 0.92 HSD17B1 (0.39) NPSR1HSD17B1HSD17B2ENPP3ADORA1
SCHEMBL29362371 0.90 NPSR1 (0.45) NPSR1HSD17B1HSD17B2THRBPKM
SCHEMBL20534756 0.90 NPSR1 (0.45) NPSR1HSD17B1HSD17B2THRBPKM
SCHEMBL21913009 0.87 NPSR1 (0.50) NPSR1ALKENPP3ADORA1HDAC2
SCHEMBL77279 0.86 NPSR1 (0.41) NPSR1HSD17B1HSD17B2THRBPKM
SCHEMBL1931336 0.86 NPSR1 (0.53) NPSR1ALKENPP3ADORA1HDAC2
SCHEMBL2213679 0.86 ALK (0.42) NPSR1THRBALKPTGER4L3MBTL1
SCHEMBL4611855 0.86 ALK (0.42) NPSR1THRBALKPTGER4L3MBTL1
SCHEMBL17661366 0.84 NPSR1 (0.51) NPSR1ALKENPP3ADORA1HDAC2
SCHEMBL13260855 0.83 HPGD (0.42) PTGER4L3MBTL1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805822-A1 WHITE OLEDS HAVING COLOR-COMPENSATED ELECTROLUMINESCENT UNIT EASTMAN KODAK COMPANY (US) 2007-07-11 EP disclosed
WO-2006047170-A1 WHITE OLEDS HAVING COLOR-COMPENSATED ELECTROLUMINESCENT UNIT EASTMAN KODAK COMPANY (US) 2006-05-04 WO disclosed