SCHEMBL4154943

SCHEMBL4154943

CN(C)c1ccccc1-c1cn2cc(OCCF)ccc2n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.42
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.40
PKM P14618 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
HRH3 Q9Y5N1 4/20 0.39
GRM5 P41594 1/20 0.38
TLR9 Q9NR96 1/20 0.38
ALDH1A3 P47895 1/20 0.38
MAPK1 P28482 1/20 0.37
MAPT P10636 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
SCHEMBL4150960 0.85 APP (0.38) APPNPC1ALDH1A1PKMRAB9A
SCHEMBL4152917 0.82 APP (0.35) APPNPC1ALDH1A1PKMRAB9A
SCHEMBL5516840 0.82 APP (0.35) APPNPC1ALDH1A1PKMRAB9A
SCHEMBL13453287 0.79 APP (0.69) APP
SCHEMBL4154941 0.79 APP (0.69) APP
SCHEMBL5048522 0.75 APP (0.58) APPNPC1ALDH1A1PKMRAB9A
SCHEMBL913532 0.75 APP (0.58) APPNPC1ALDH1A1PKMRAB9A
SCHEMBL4152910 0.73 APP (0.63) APP
SCHEMBL4150959 0.73 APP (0.63) APP
SCHEMBL2817233 0.72 APP (0.62) APPNPC1ALDH1A1PKMRAB9A

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-1893245-A4 RADIOLABELED-PEGYLATION OF LIGANDS FOR USE AS IMAGING AGENTS UNIV PENNSYLVANIA (US) 2009-06-24 EP disclosed
EP-1893245-A2 RADIOLABELED-PEGYLATION OF LIGANDS FOR USE AS IMAGING AGENTS The Trustees of the University of Pennsylvania (US) 2008-03-05 EP disclosed
WO-2007002540-A2 RADIOLABELED-PEGYLATION OF LIGANDS FOR USE AS IMAGING AGENTS KUNG HANK F (US) 2007-01-04 WO disclosed