SCHEMBL16068050

SCHEMBL16068050

c1ccc2c(c1)cc(-c1c3ccccc3c(-c3ccc4[nH]c5c6ccccc6c6ccccc6c5c4c3)c3ccccc13)c1ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 3/20 0.40
▸ GSK3A P49840 2/20 0.40
▸ CDK5 Q00535 2/20 0.40
▸ CDK5R1 Q15078 2/20 0.40
▸ CLK1 P49759 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ GABRP O00591 1/20 0.39
▸ GABRD O14764 1/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRB1 P18505 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ GABRA3 P34903 1/20 0.39
▸ GABRA2 P47869 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ GABRA4 P48169 1/20 0.39
▸ GABRE P78334 1/20 0.39
▸ GABRA6 Q16445 1/20 0.39
▸ GABRG1 Q8N1C3 1/20 0.39

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
SCHEMBL16067882 0.91 KIF11 (0.40) GSK3BGSK3ACDK5CDK5R1CLK1
SCHEMBL16067745 0.89 CLK1 (0.39) GSK3BGSK3ACDK5CDK5R1CLK1
SCHEMBL16068094 0.89 KIF11 (0.46) GSK3BGSK3ACDK5CDK5R1CLK1
SCHEMBL16068048 0.89 KIF11 (0.45) GSK3BGSK3ACDK5CDK5R1CLK1
SCHEMBL16067876 0.89 CDK5 (0.42) GSK3BGSK3ACDK5CDK5R1CLK1
SCHEMBL16067675 0.89 CDK5 (0.48) GSK3BGSK3ACDK5CDK5R1CLK1
SCHEMBL16068066 0.88 BCHE (0.42) GSK3BGSK3ACDK5CDK5R1CLK1
SCHEMBL16068047 0.86 HTR2B (0.49) GSK3BGSK3ACDK5CDK5R1CLK1
SCHEMBL16067879 0.86 GABRP (0.49) GSK3BGSK3ACDK5CDK5R1CLK1
SCHEMBL16067742 0.85 KIF11 (0.53) GSK3BCLK1DYRK1AGABRPGABRD

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-2014141725-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME 出光興産株式会社 (JP) 2014-09-18 — — WO disclosed
Send feedback