SCHEMBL3399224

SCHEMBL3399224

Cc1cc(C#N)ccc1-c1ccnc(NCc2cc(-c3ccc(C(=O)OC(C)C)o3)[nH]n2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.47
MAPK1 P28482 2/20 0.36
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CHEK1 O14757 4/20 0.33
WNT3A P56704 1/20 0.33
DYRK1A Q13627 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33
MAPKAPK2 P49137 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32

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
SCHEMBL13425751 0.93 KCNH2 (0.51) KCNH2MAPK1HRH2HRH1ALDH1A1
SCHEMBL13425609 0.91 KCNH2 (0.49) KCNH2MAPK1HRH2HRH1KDM4E
SCHEMBL13425784 0.89 KCNH2 (0.52) KCNH2MAPK1HRH2HRH1KDM4E
SCHEMBL13425597 0.88 KCNH2 (0.50) KCNH2MAPK1HRH2HRH1CHEK1
SCHEMBL13426244 0.87 KCNH2 (0.50) KCNH2MAPK1HRH2HRH1CHEK1
SCHEMBL13425632 0.87 KCNH2 (0.49) KCNH2MAPK1HRH2HRH1DYRK1A
SCHEMBL13426216 0.85 KCNH2 (0.48) KCNH2MAPK1HRH2HRH1DYRK1A
SCHEMBL13426311 0.84 KCNH2 (0.47) KCNH2CHEK1EGLN1
SCHEMBL3399662 0.84 KCNH2 (0.51) KCNH2MAPK1KDM4EALDH1A1MAPT
SCHEMBL13425790 0.83 KCNH2 (0.56) KCNH2MAPK1HRH2HRH1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed