SCHEMBL13087007

SCHEMBL13087007

c1ccc2c(c1)ccc1c2c2ccccc2n1-c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 3/20 0.32
ALDH1A1 P00352 3/20 0.32
HIF1A Q16665 2/20 0.32
TSHR P16473 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
CYP1B1 Q16678 1/20 0.32
CYP2A6 P11509 1/20 0.32
PTGES O14684 1/20 0.32
NQO2 P16083 2/20 0.31
IDO1 P14902 1/20 0.31
CYP1A2 P05177 2/20 0.31
FYN P06241 2/20 0.31
ACHE P22303 2/20 0.31
AHR P35869 2/20 0.31
ERBB2 P04626 1/20 0.31
MAOA P21397 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL4402486 0.85 KDM4E (0.56) ATML3MBTL1KDM4EHSD17B10ALDH1A1
SCHEMBL13087156 0.85 ATM (0.34) ATML3MBTL1KDM4EHSD17B10ALDH1A1
SCHEMBL13086960 0.84 ATM (0.55) ATML3MBTL1KDM4EHSD17B10ALDH1A1
SCHEMBL2741479 0.84 KDM4E (0.41) ATML3MBTL1KDM4E
SCHEMBL15275612 0.82 KDM4E (0.42) ATML3MBTL1KDM4EALDH1A1MKNK1
SCHEMBL20869192 0.82 KDM4E (0.42) ATML3MBTL1KDM4EALDH1A1MKNK1
SCHEMBL21578495 0.81 ATM (0.47) ATML3MBTL1KDM4EHSD17B10ALDH1A1
SCHEMBL1755427 0.80 L3MBTL1 (0.61) ATML3MBTL1KDM4EHSD17B10ALDH1A1
SCHEMBL30181013 0.80 L3MBTL1 (0.61) ATML3MBTL1KDM4EHSD17B10ALDH1A1
SCHEMBL2741464 0.80 KDM4E (0.49) ATML3MBTL1KDM4EHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010114264-A2 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME DOW ADVANCED DISPLAY MATERIALS,LTD. (KR) 2010-10-07 WO disclosed