SCHEMBL23937002

SCHEMBL23937002

NCCOCCOCCOc1ccc(/C=C/c2ccc(N)cc2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 12/20 0.56
MAPT P10636 1/20 0.56
SNCA P37840 1/20 0.56
CXCL12 P48061 2/20 0.37
AKT1 P31749 3/20 0.37
CYP19A1 P11511 3/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
CHUK O15111 1/20 0.37
DYRK3 O43781 1/20 0.37
ROCK2 O75116 1/20 0.37
RPS6KA5 O75582 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
PIM1 P11309 1/20 0.37
PHKG2 P15735 1/20 0.37
PRKACA P17612 1/20 0.37
CLK2 P49760 1/20 0.37
PRKX P51817 1/20 0.37
PRKCD Q05655 1/20 0.37

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
SCHEMBL2374434 0.90 APP (0.70) APPMAPTSNCAAKT1CYP19A1
SCHEMBL2374425 0.90 APP (0.70) APPMAPTSNCAAKT1CYP19A1
SCHEMBL2373649 0.87 APP (0.55) APPMAPTSNCAAKT1CYP19A1
SCHEMBL23936983 0.87 APP (0.52) APPMAPTSNCAAKT1CYP19A1
SCHEMBL2373639 0.87 APP (0.55) APPMAPTSNCAAKT1CYP19A1
SCHEMBL23936976 0.83 APP (0.49) APPMAPTSNCAAKT1CYP19A1
SCHEMBL15731546 0.83 APP (0.81) APPMAPTSNCA
SCHEMBL13863145 0.83 APP (0.57) APPMAPTSNCAAKT1CYP19A1
SCHEMBL23936987 0.80 APP (0.76) APPMAPTSNCA
SCHEMBL13863152 0.80 APP (0.47) APPMAPTSNCAAKT1CYP19A1

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-3345545-B1 FUNCTIONALIZED MAGNETIC NANOPARTICLES AND USE IN IMAGING AMYLOID DEPOSITS AND NEUROFIBRILLARY TANGLES UNIV CALIFORNIA (US) 2021-10-20 EP disclosed