SCHEMBL5778909

SCHEMBL5778909

Nc1ccc(-c2ccccc2)c(-c2ccccc2)c1-c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.46
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 3/20 0.42
HPGD P15428 3/20 0.42
KEAP1 Q14145 2/20 0.42
TSHR P16473 2/20 0.42
CYP3A4 P08684 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
NFE2L2 Q16236 1/20 0.42
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.41
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL49882 0.94 PRKCZ (0.45) DHFRALDH1A1HSD17B10HPGDKEAP1
SCHEMBL27639818 0.93 PRKCZ (0.44) DHFRALDH1A1HSD17B10HPGDKEAP1
SCHEMBL1847371 0.92 ALDH1A1 (0.46) DHFRALDH1A1HSD17B10HPGDKEAP1
SCHEMBL3936089 0.88 DHFR (0.44) DHFRALDH1A1HSD17B10HPGDKEAP1
SCHEMBL2325679 0.88 PRKCZ (0.49) DHFRALDH1A1HSD17B10HPGDKEAP1
SCHEMBL28223683 0.87 DHFR (0.43) DHFRALDH1A1HSD17B10HPGDKEAP1
SCHEMBL788001 0.86 ALDH1A1 (0.56) DHFRALDH1A1HSD17B10HPGDKEAP1
SCHEMBL29865479 0.85 PRKCZ (0.53) DHFRALDH1A1HSD17B10HPGDKEAP1
SCHEMBL3989716 0.85 PRKCZ (0.53) DHFRALDH1A1HSD17B10HPGDKEAP1
SCHEMBL22325661 0.85 CA12 (0.49) DHFRALDH1A1HSD17B10HPGDKEAP1

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-1499624-B1 ELECTROLUMINESCENT MATERIALS UNIV HONG KONG (CN) 2016-01-06 EP disclosed
EP-1499624-A4 ELECTROLUMINESCENT MATERIALS UNIV HONG KONG (CN) 2006-05-03 EP disclosed
EP-1499624-A1 ELECTROLUMINESCENT MATERIALS The University of Hong Kong (CN) 2005-01-26 EP disclosed
US-6653654-B1 Light emitting diodes having electrodes, charge tranfer compounds, emitter layers comprising mixtures of beryllium bis(2-(2'-hydroxyphenyl)pyridine) and platinum complexes as dopes; brightness; heat resistance THE UNIVERSITY OF HONG KONG (CN) 2003-11-25 US disclosed
WO-2003093283-A1 ELECTROLUMINESCENT MATERIALS THE UNIVERSITY OF HONG KONG (CN) 2003-11-13 WO disclosed
US-20030205707-A1 ELECTROLUMINESCENT MATERIALS VERSITECH LIMITED (HK) 2003-11-06 US disclosed