SCHEMBL3468916

SCHEMBL3468916

CC(=C(C#N)C#N)c1ccc2cc(NCCCF)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
APP P05067 2/20 0.55
SNCA P37840 1/20 0.55
ALDH1A1 P00352 4/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.33
PRSS1 P07477 8/20 0.32
F2 P00734 2/20 0.31
PRSS2 P07478 2/20 0.31
PRSS3 P35030 2/20 0.31
TMPRSS6 Q8IU80 2/20 0.31
ST14 Q9Y5Y6 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL951328 0.90 APP (0.49) MAPTAPPSNCAALDH1A1GAA
SCHEMBL17254449 0.88 MAPT (0.49) MAPTAPPSNCAALDH1A1GAA
SCHEMBL17254448 0.83 MAPT (0.44) MAPTAPPSNCAALDH1A1GAA
SCHEMBL19852804 0.83 MAPT (0.48) MAPTAPPSNCAALDH1A1MEN1
SCHEMBL4977529 0.77 ENPP2 (0.40) MAPTAPPSNCAALDH1A1GAA
SCHEMBL13808727 0.74 APP (0.86) MAPTAPPSNCA
SCHEMBL14527673 0.72 MAPT (0.55) MAPTAPPSNCAALDH1A1MEN1
SCHEMBL1727264 0.71 APP (1.00) MAPTAPPSNCA
SCHEMBL12453200 0.71 APP (1.00) MAPTAPPSNCA
SCHEMBL29528164 0.71 APP (1.00) MAPTAPPSNCA

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
EP-2186782-A1 Methods for the purification of radiolabelled products using a solid-support scavanger GE Healthcare Limited (GB) 2010-05-19 EP claimed