SCHEMBL996127

SCHEMBL996127

N#Cc1cccc(-c2ccccc2-c2cccc(C#N)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.64
CLK4 Q9HAZ1 1/20 0.57
MAOB P27338 2/20 0.53
GABRG2 P18507 2/20 0.50
GABRB3 P28472 2/20 0.50
GABRA5 P31644 2/20 0.50
GABRA3 P34903 2/20 0.50
TSHR P16473 2/20 0.50
GABRA1 P14867 1/20 0.50
PDK2 Q15119 1/20 0.50
CHEK1 O14757 1/20 0.49
IDO1 P14902 2/20 0.49
ADORA2A P29274 2/20 0.49
ADORA1 P30542 1/20 0.49
NOTUM Q6P988 1/20 0.49
PTPN5 P54829 1/20 0.46
XDH P47989 1/20 0.46
SLC22A12 Q96S37 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL3422474 0.96 ADRA2C (0.60) ADRA2CCLK4MAOBGABRG2GABRB3
SCHEMBL31272452 0.96 ADRA2C (0.60) ADRA2CCLK4MAOBGABRG2GABRB3
SCHEMBL20396135 0.92 ADRA2C (0.57) ADRA2CCLK4MAOBGABRG2GABRB3
SCHEMBL9469214 0.86 ADRA2C (0.55) ADRA2CCLK4MAOBGABRG2GABRB3
SCHEMBL13859179 0.86 GABRG2 (0.62) ADRA2CCLK4MAOBGABRG2GABRB3
SCHEMBL396202 0.86 ADRA2C (0.59) ADRA2CCLK4MAOBGABRG2GABRB3
SCHEMBL3417473 0.86 ADRA2C (0.55) ADRA2CCLK4MAOBGABRG2GABRB3
SCHEMBL4506629 0.86 ADRA2C (0.55) ADRA2CCLK4MAOBGABRG2GABRB3
SCHEMBL28022368 0.86 ADRA2C (0.59) ADRA2CCLK4MAOBGABRG2GABRB3
SCHEMBL2154026 0.85 CLK4 (0.65) ADRA2CCLK4MAOBGABRG2GABRB3

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
EP-2456555-A1 METHOD FOR OXIDIZING METHANE Studiengesellschaft Kohle MbH (DE) 2012-05-30 EP claimed
WO-2011009429-A1 METHOD FOR OXIDIZING METHANE STUDIENGESELLSCHAFT KOHLE MBH (DE) 2011-01-27 WO claimed
EP-2456555-A1 METHOD FOR OXIDIZING METHANE Studiengesellschaft Kohle MbH (DE) 2012-05-30 EP disclosed
WO-2011009429-A1 METHOD FOR OXIDIZING METHANE STUDIENGESELLSCHAFT KOHLE MBH (DE) 2011-01-27 WO disclosed