SCHEMBL4621269

SCHEMBL4621269

CCCC(C)N(c1ccccc1)c1ccc(N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
CYP3A4 P08684 4/20 0.52
TDP1 Q9NUW8 4/20 0.52
MAPT P10636 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
KDM4E B2RXH2 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
MAPK1 P28482 2/20 0.41
TSHR P16473 2/20 0.41
PSMD14 O00487 1/20 0.41
RECQL P46063 1/20 0.41
GFER P55789 1/20 0.41
AOC3 Q16853 3/20 0.38
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 2/20 0.36
ALOX12 P18054 1/20 0.36

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
SCHEMBL5340432 0.90 ALDH1A1 (0.48) ALDH1A1CYP3A4TDP1MAPTL3MBTL1
SCHEMBL11238045 0.89 AOC3 (0.41) ALDH1A1MAPTKDM4ETSHRAOC3
SCHEMBL28737807 0.89 ALDH1A1 (0.47) ALDH1A1CYP3A4TDP1MAPTL3MBTL1
SCHEMBL3457890 0.87 ALDH1A1 (0.46) ALDH1A1CYP3A4TDP1MAPTL3MBTL1
SCHEMBL3957690 0.86 ALDH1A1 (0.47) ALDH1A1CYP3A4TDP1MAPTL3MBTL1
SCHEMBL127166 0.86 ALDH1A1 (0.55) ALDH1A1CYP3A4TDP1MAPTL3MBTL1
SCHEMBL28222713 0.83 ALDH1A1 (0.44) ALDH1A1CYP3A4TDP1MAPTL3MBTL1
SCHEMBL105667 0.81 ALDH1A1 (0.48) ALDH1A1CYP3A4TDP1MAPTL3MBTL1
SCHEMBL14730249 0.80 RELA (0.49) CYP3A4TDP1KDM4ECYP2D6CYP2C9
SCHEMBL7745814 0.80 TDP1 (0.48) ALDH1A1CYP3A4TDP1MAPTL3MBTL1

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-1902106-A1 PRIMER COMPOSITIONS FOR ADHESIVE BONDING SYSTEMS Henkel Corporation (US) 2008-03-26 EP disclosed
WO-2007008199-A1 PRIMER COMPOSITIONS FOR ADHESIVE BONDING SYSTEMS HENKEL CORPORATION (US) 2007-01-18 WO disclosed