SCHEMBL6541995

SCHEMBL6541995

c1ccc2cc3cc4c(ccc5cc6cccc([N]c7cccc8cc9ccc%10cc%11cc%12ccccc%12cc%11cc%10c9cc78)c6cc54)cc3cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.46
HSD17B10 Q99714 8/20 0.46
HIF1A Q16665 3/20 0.46
CYP1B1 Q16678 2/20 0.46
HPGD P15428 7/20 0.44
CYP1A2 P05177 5/20 0.44
MAOA P21397 2/20 0.42
ACHE P22303 2/20 0.42
ERBB2 P04626 1/20 0.42
FYN P06241 1/20 0.42
AHR P35869 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
KDM4E B2RXH2 3/20 0.39
GAA P10253 3/20 0.39
CYP3A4 P08684 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
ALOX15 P16050 2/20 0.39
HBB P68871 1/20 0.39

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
SCHEMBL6540930 0.98 ALDH1A1 (0.48) ALDH1A1HSD17B10HIF1ACYP1B1HPGD
SCHEMBL6541795 0.98 ALDH1A1 (0.48) ALDH1A1HSD17B10HIF1ACYP1B1HPGD
SCHEMBL6541314 0.94 SIGMAR1 (0.44) ALDH1A1HSD17B10HIF1ACYP1B1HPGD
SCHEMBL6542058 0.94 SIGMAR1 (0.44) ALDH1A1HSD17B10HIF1ACYP1B1HPGD
SCHEMBL6542069 0.94 SIGMAR1 (0.44) ALDH1A1HSD17B10HIF1ACYP1B1HPGD
SCHEMBL6542100 0.94 SIGMAR1 (0.44) ALDH1A1HSD17B10HIF1ACYP1B1HPGD
SCHEMBL2256805 0.92 SIGMAR1 (0.45) ALDH1A1HSD17B10HIF1ACYP1B1HPGD
SCHEMBL6541871 0.90 ALDH1A1 (0.41) ALDH1A1HSD17B10HIF1ACYP1B1HPGD
SCHEMBL2254008 0.86 SIGMAR1 (0.49) ALDH1A1HSD17B10HIF1ACYP1B1HPGD
SCHEMBL4849424 0.83 ALDH1A1 (0.52) ALDH1A1HSD17B10HIF1ACYP1B1HPGD

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