SCHEMBL10301065

SCHEMBL10301065

c1ccc(-c2c3ccc(-c4ncccn4)cc3c(-c3ccccc3)c3ccc(-c4ncccn4)cc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 3/20 0.42
DYRK1A Q13627 1/20 0.42
CYP2A6 P11509 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ADRB2 P07550 1/20 0.37
ESR1 P03372 4/20 0.37
ESR2 Q92731 4/20 0.37
PIK3CD O00329 1/20 0.37
PIP5K1C O60331 1/20 0.37
PI4KA P42356 1/20 0.37
PIK3CG P48736 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
KAT6A Q92794 1/20 0.36
PIK3CA P42336 1/20 0.36
MAP4K4 O95819 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
SCHEMBL10301024 0.98 CLK4 (0.41) CLK4DYRK1ACYP2A6NPC1RAB9A
SCHEMBL15977564 0.96 CLK4 (0.40) CLK4DYRK1ACYP2A6NPC1RAB9A
SCHEMBL10301053 0.93 NPC1 (0.44) CLK4DYRK1ACYP2A6NPC1RAB9A
SCHEMBL15977705 0.91 NPC1 (0.42) CLK4CYP2A6NPC1RAB9ANFKB1
SCHEMBL15977891 0.91 NPC1 (0.42) CLK4CYP2A6NPC1RAB9ANFKB1
SCHEMBL15977696 0.91 NPC1 (0.42) CLK4CYP2A6NPC1RAB9ANFKB1
SCHEMBL15977778 0.91 NPC1 (0.42) CLK4CYP2A6NPC1RAB9ANFKB1
SCHEMBL15977802 0.90 CLK4 (0.38) CLK4DYRK1ACYP2A6NPC1RAB9A
SCHEMBL12263387 0.89 ESR1 (0.39) CYP2A6ESR1ESR2PIK3CAMAP4K4
SCHEMBL15977914 0.87 ESR1 (0.43) CLK4DYRK1ASMN1; SMN2ESR1ESR2

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
US-8217570-B2 Anthracene derivative and organic electroluminescent element using the same IDEMITSU KOSAN CO., LTD. (JP) 2012-07-10 US disclosed
US-8217570-B2 Anthracene derivative and organic electroluminescent element using the same IDEMITSU KOSAN CO., LTD. (JP) 2012-07-10 US disclosed
US-20080111473-A1 Anthracene Derivative and Organic Electroluminescent Element Using the Same IDEMITSU KOSAN CO., LTD. (JP) 2008-05-15 US disclosed
US-20080111473-A1 Anthracene Derivative and Organic Electroluminescent Element Using the Same IDEMITSU KOSAN CO., LTD. (JP) 2008-05-15 US disclosed