SCHEMBL6542137

SCHEMBL6542137

c1ccc2c(c1)c1cccc3c1c2c1c(Nc2ccc4c5ccccc5c5c6cccc7c8ccccc8c(c2c45)c76)ccc2c4ccccc4c3c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 2/20 0.41
THRB P10828 1/20 0.41
MAPK1 P28482 1/20 0.37
GNG2 P59768 1/20 0.37
GNB1 P62873 1/20 0.37
HIF1A Q16665 1/20 0.37
MEN1 O00255 2/20 0.37
GAA P10253 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
MAPT P10636 1/20 0.37
RECQL P46063 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ATM Q13315 2/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 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
SCHEMBL6540408 0.80 GAA (0.48) CYP1A2ALDH1A1HPGDHSD17B10THRB
SCHEMBL11302617 0.80 CYP1A2 (0.58) CYP1A2ALDH1A1HPGDHSD17B10THRB
SCHEMBL2533864 0.80 CYP1A2 (0.58) CYP1A2ALDH1A1HPGDHSD17B10THRB
SCHEMBL4845687 0.80 CYP1A2 (0.58) CYP1A2ALDH1A1HPGDHSD17B10THRB
SCHEMBL2537906 0.77 CYP1A2 (0.55) CYP1A2ALDH1A1HPGDHSD17B10THRB
SCHEMBL3808759 0.77 HSD17B10 (0.53) CYP1A2ALDH1A1HPGDHSD17B10THRB
SCHEMBL26985 0.77 CYP1A2 (0.61) CYP1A2ALDH1A1HPGDHSD17B10THRB
Triphenylene SCHEMBL21679566 0.77 CYP1A2 (0.61) CYP1A2ALDH1A1HPGDHSD17B10THRB
SCHEMBL29562533 0.77 CYP1A2 (0.61) CYP1A2ALDH1A1HPGDHSD17B10THRB
SCHEMBL4764427 0.77 CYP1A2 (0.61) CYP1A2ALDH1A1HPGDHSD17B10THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1259388-C Composition for organic electroluminescent device and organic electroluminescent device using the same TOYO INK MFG CO (JP) 2006-06-14 CN disclosed
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
CN-1526002-A Composition for organic electroluminescence element and organic electroluminescence element using the same ��ī�����˹��ʽ���� 2004-09-01 CN disclosed
US-20040151944-A1 Anode, cathode, light emitting layers TOYO INK MFG. CO., LTD. (JP) 2004-08-05 US disclosed