SCHEMBL8757233

SCHEMBL8757233

CC(=O)c1ccc(C#N)cc1C#N

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FFAR1 O14842 1/20 0.39
GAA P10253 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
XDH P47989 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.38
DYRK1A Q13627 1/20 0.38
HTT P42858 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 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
SCHEMBL4849617 0.82 XDH (0.50) KDM4EFFAR1CA1CA2XDH
SCHEMBL4259236 0.81 ALDH1A1 (0.50) ALDH1A1MAPTCA2XDHSLC22A12
SCHEMBL8757223 0.81 CA2 (0.38) ALDH1A1MAPTFFAR1CA1CA2
SCHEMBL3361866 0.81 LRRK2 (0.48) SMN1; SMN2KDM4EALDH1A1MAPTFFAR1
SCHEMBL28575929 0.81 CA1 (0.42) ALDH1A1MAPTFFAR1CA1CA2
SCHEMBL8670727 0.81 KDM4E (0.45) SMN1; SMN2KDM4EALDH1A1L3MBTL1FFAR1
SCHEMBL2532385 0.79 GABRA1 (0.46) SMN1; SMN2KDM4EL3MBTL1GAA
SCHEMBL3362814 0.79 FLT1 (0.51) ALDH1A1MAPTL3MBTL1
SCHEMBL10244858 0.79 KMT2A (0.52) SMN1; SMN2ALDH1A1MAPTL3MBTL1GAA
SCHEMBL7450183 0.79 MEN1 (0.44) ALDH1A1MAPTFFAR1CA1CA2

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
EP-0555058-B1 (Oxo)sulfonium complex, polymerizable composition containing the complex, and method of polymerizing composition TOYO INK MFG CO (JP) 1997-05-07 EP disclosed
EP-0555058-A1 (Oxo)sulfonium complex, polymerizable composition containing the complex, and method of polymerizing composition TOYO INK MANUFACTURING CO., LTD. (JP) 1993-08-11 EP disclosed