SCHEMBL3979913

SCHEMBL3979913

COC(=O)c1cnn(CC(C#N)C#N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.43
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
GRM2 Q14416 1/20 0.36
EGLN2 Q96KS0 1/20 0.34
MAPK1 P28482 2/20 0.33
KDM5A P29375 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
ATM Q13315 1/20 0.33
ROCK1 Q13464 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 1/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CYP2C19 P33261 1/20 0.33
GFER P55789 1/20 0.33

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
SCHEMBL27759034 0.82 ACHE (0.63) ACHEALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL24036424 0.81 ACHE (0.54) ACHEALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL3978887 0.79 ACHE (0.43) ACHEALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL2187671 0.77 L3MBTL1 (0.45) ACHEALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL2187074 0.75 L3MBTL1 (0.44) ACHEALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL12492471 0.74 L3MBTL1 (0.46) ACHEALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL22064000 0.73 L3MBTL1 (0.49) ALDH1A1HPGDKDM4EL3MBTL1GRM2
SCHEMBL24828550 0.73 L3MBTL1 (0.49) ACHEALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL27645962 0.72 L3MBTL1 (0.55) ACHEALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL20541050 0.71 L3MBTL1 (0.44) ACHEALDH1A1HPGDKDM4EL3MBTL1

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
US-7541374-B2 Malononitrile compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-02 US disclosed