SCHEMBL6541790

SCHEMBL6541790

c1ccc2c(c1)-c1cccc(Nc3cccc4c3-c3ccccc3-4)c1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.43
MAPK1 P28482 5/20 0.40
GNG2 P59768 1/20 0.40
GNB1 P62873 1/20 0.40
HIF1A Q16665 1/20 0.40
MAPT P10636 6/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
EGFR P00533 1/20 0.38
PABPC1 P11940 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL18023698 0.87 FABP4 (0.53) CYP1A2SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL10495494 0.80 MAPT (0.35) CYP1A2MAPK1MAPTL3MBTL1TDP1
SCHEMBL7568552 0.80 ALDH1A1 (0.43) CYP1A2MAPK1MAPTL3MBTL1TDP1
SCHEMBL29236876 0.76 ALDH1A1 (0.47) CYP1A2MAPK1HIF1AMAPTL3MBTL1
SCHEMBL3611242 0.73 HSD17B10 (0.47) CYP1A2MAPTHSD17B10ALDH1A1KDM4E
SCHEMBL3611245 0.73 HSD17B10 (0.51) CYP1A2MAPTRAB9AHSD17B10ALDH1A1
SCHEMBL3606589 0.73 HSD17B10 (0.44) CYP1A2MAPTSMN1; SMN2HSD17B10ALDH1A1
SCHEMBL6541615 0.73 MAPK1 (0.54) CYP1A2MAPK1GNG2GNB1HIF1A
SCHEMBL4503145 0.72 HSD17B10 (0.40) CYP1A2MAPTL3MBTL1SMN1; SMN2HSD17B10
SCHEMBL3606587 0.72 HSD17B10 (0.43) CYP1A2MAPK1MAPTL3MBTL1TDP1

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