SCHEMBL6541648

SCHEMBL6541648

c1ccc2c(-c3c([N]c4cc5ccccc5c(-c5cccc6ccccc56)c4-c4cccc5ccccc45)cc4ccccc4c3-c3cccc4ccccc34)cccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.42
GPR84 Q9NQS5 1/20 0.42
TYMP P19971 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HIF1A Q16665 3/20 0.40
HSD17B10 Q99714 3/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 2/20 0.40
CASP1 P29466 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DHFR P00374 1/20 0.39
CYP1B1 Q16678 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALPL P05186 1/20 0.39
GAA P10253 1/20 0.39
GSK3B P49841 2/20 0.38
DNMT1 P26358 1/20 0.38
ADK P55263 1/20 0.38
MEN1 O00255 1/20 0.37

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 0.82 ALDH1A1 (0.38) CES1TYMPALDH1A1HIF1AHSD17B10
SCHEMBL6541674 0.81 DNMT1 (0.44) CES1GPR84TYMPALDH1A1HIF1A
SCHEMBL338172 0.80 CES1 (0.55) CES1GPR84TYMPALDH1A1HIF1A
SCHEMBL29663473 0.79 GPR84 (0.53) CES1GPR84TYMPALDH1A1HIF1A
SCHEMBL7243627 0.76 CES1 (0.52) CES1GPR84TYMPALDH1A1HIF1A
SCHEMBL31415913 0.75 HPRT1 (0.50) TYMPALDH1A1HIF1AHSD17B10HPGD
SCHEMBL27263879 0.75 ALDH1A1 (0.53) TYMPALDH1A1HIF1AHSD17B10HPGD
SCHEMBL32689890 0.74 ALDH1A1 (0.48) CES1GPR84TYMPALDH1A1HIF1A
SCHEMBL28209362 0.74 ALDH1A1 (0.46) CES1GPR84TYMPALDH1A1HIF1A
SCHEMBL28593742 0.73 DNMT1 (0.44) GPR84TYMPALDH1A1HSD17B10HPGD

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