SCHEMBL6540793

SCHEMBL6540793

c1ccc2cc3c(-c4c([N]c5ccc6cc7ccccc7cc6c5-c5cccc6cc7ccccc7cc56)ccc5cc6ccccc6cc45)cccc3cc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.39
HSD17B10 Q99714 6/20 0.39
HPGD P15428 4/20 0.39
HIF1A Q16665 3/20 0.39
TSHR P16473 3/20 0.39
MAPK1 P28482 3/20 0.39
CASP1 P29466 2/20 0.39
TP53 P04637 1/20 0.39
CASP7 P55210 1/20 0.39
CYP1A2 P05177 3/20 0.39
ERBB2 P04626 1/20 0.39
FYN P06241 1/20 0.39
MAOA P21397 1/20 0.39
ACHE P22303 1/20 0.39
AHR P35869 1/20 0.39
CES1 P23141 1/20 0.38
CYP1B1 Q16678 1/20 0.38
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35

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
SCHEMBL6541904 0.84 ALDH1A1 (0.38) ALDH1A1HSD17B10HPGDHIF1ATSHR
SCHEMBL6541674 0.79 DNMT1 (0.44) ALDH1A1HSD17B10HPGDHIF1ATSHR
SCHEMBL3869266 0.79 CES1 (0.44) ALDH1A1HSD17B10HPGDHIF1ATSHR
SCHEMBL29410607 0.79 CES1 (0.44) ALDH1A1HSD17B10HPGDHIF1ATSHR
SCHEMBL29810631 0.78 CES1 (0.43) ALDH1A1HSD17B10HPGDHIF1ATSHR
SCHEMBL5713430 0.77 CES1 (0.48) ALDH1A1HSD17B10HPGDHIF1ATSHR
SCHEMBL28576924 0.77 CES1 (0.53) ALDH1A1HSD17B10HPGDHIF1ATSHR
SCHEMBL6242477 0.76 ALDH1A1 (0.48) ALDH1A1HSD17B10HPGDHIF1ATSHR
SCHEMBL29380616 0.76 ALOX5 (0.44) ALDH1A1HSD17B10HIF1ACYP1A2MAOA
SCHEMBL29354014 0.76 ALDH1A1 (0.50) ALDH1A1HSD17B10HPGDHIF1ATSHR

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-1452574-A1 COMPOSITION FOR ORGANIC ELECTROLUMINESCENCE ELEMENT AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING THE SAME TOYO INK MFG. CO., LTD. (JP) 2004-09-01 EP disclosed
US-20040151944-A1 Anode, cathode, light emitting layers TOYO INK MFG. CO., LTD. (JP) 2004-08-05 US disclosed