SCHEMBL16067745

SCHEMBL16067745

c1ccc2c(c1)cc(-c1c3ccccc3c(-c3ccc4c(c3)[nH]c3c5ccccc5c5ccccc5c43)c3ccccc13)c1ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ 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
▸ GABRG3 Q99928 1/20 0.39
▸ GABRQ Q9UN88 1/20 0.39
▸ CDK4 P11802 9/20 0.38
▸ CCND1 P24385 9/20 0.38

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
SCHEMBL16067751 0.91 CDK4 (0.42) CLK1DYRK1AGABRPGABRDGABRA1
SCHEMBL16067755 0.90 KIF11 (0.44) CLK1DYRK1AGABRPGABRDGABRA1
SCHEMBL16068050 0.89 GSK3B (0.40) CLK1DYRK1AGABRPGABRDGABRA1
SCHEMBL16067760 0.89 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16067811 0.89 GABRP (0.47) CLK1DYRK1AGABRPGABRDGABRA1
SCHEMBL16067740 0.88 BCHE (0.39) CLK1DYRK1AGABRPGABRDGABRA1
SCHEMBL16067908 0.86 KIF11 (0.54) CDK4CCND1GSK3BALDH1A1HPGD
SCHEMBL17122711 0.86 CDK4 (0.38) CLK1DYRK1AGABRPGABRDGABRA1
SCHEMBL16067778 0.86 HTR2B (0.46) CLK1DYRK1AGABRPGABRDGABRA1
SCHEMBL16067762 0.86 GABRP (0.45) CLK1DYRK1AGABRPGABRDGABRA1

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