SCHEMBL5144699

SCHEMBL5144699

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 8/20 0.44
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SNCA P37840 2/20 0.38
TERT O14746 1/20 0.35
MAPK1 P28482 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
HRH3 Q9Y5N1 2/20 0.33
RAB9A P51151 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33
RECQL P46063 1/20 0.33
CALM1 P0DP23 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL13733324 0.85 APP (0.58) APPALDH1A1MAPTMEN1KMT2A
SCHEMBL27593766 0.80 CYP1A2 (0.44) KMT2ASIGMAR1
SCHEMBL900444 0.73 APP (0.37) APPALDH1A1MAPTMEN1KMT2A
SCHEMBL6044185 0.72 APP (0.49) APPALDH1A1TERTMAPK1TDP1
SCHEMBL13487155 0.70 CYP1A2 (0.57) APPALDH1A1TERTMAPK1TDP1
SCHEMBL30830203 0.70 APP (0.66) APPALDH1A1MAPTMEN1KMT2A
SCHEMBL29235054 0.70 APP (0.66) APPALDH1A1MAPTMEN1KMT2A
SCHEMBL29235056 0.70 APP (0.66) APPALDH1A1MAPTMEN1KMT2A
SCHEMBL12566471 0.69 TERT (0.64) APPALDH1A1MAPTMEN1KMT2A
SCHEMBL14311184 0.69 APP (0.45) APPALDH1A1TERTMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1624900-A4 METHODS FOR BINDING AGENTS TO BETA-AMYLOID PLAQUES UNIV CALIFORNIA (US) 2007-05-02 EP disclosed
EP-1624900-A2 METHODS FOR BINDING AGENTS TO BETA-AMYLOID PLAQUES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-02-15 EP disclosed
WO-2005040337-A2 METHODS FOR BINDING AGENTS TO β-AMYLOID PLAQUES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-05-06 WO disclosed