SCHEMBL13639541

SCHEMBL13639541

Cc1ccc(NCCCF)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.70
HTT P42858 1/20 0.45
ALDH1A1 P00352 4/20 0.44
APP P05067 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
MEN1 O00255 3/20 0.43
GAA P10253 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
BLM P54132 1/20 0.42
PLEC Q15149 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL11518048 0.88 MAPT (0.80) MAPTHTTALDH1A1HRH3MEN1
SCHEMBL13650793 0.86 MAPT (0.76) MAPTHTTALDH1A1APPHRH3
SCHEMBL178398 0.84 MAPT (0.74) MAPTHTTALDH1A1HRH3MEN1
SCHEMBL2065837 0.83 MAPT (1.00) MAPTHTTALDH1A1HRH3MEN1
SCHEMBL7149998 0.83 MAPT (0.71) MAPTHTTALDH1A1GAAPRSS1
SCHEMBL1485752 0.82 MAPT (0.70) MAPTHTTALDH1A1HRH3MEN1
SCHEMBL11935541 0.81 MAPT (0.68) MAPTHTTALDH1A1GAAPRSS1
SCHEMBL14661687 0.81 MAPT (0.68) MAPTHTTALDH1A1GAAPRSS1
Hydrochloric Acid SCHEMBL15329323 0.80 MAPT (0.94) MAPTHTTALDH1A1HRH3MEN1
SCHEMBL19634902 0.80 MAPT (0.67) MAPTHTTALDH1A1HRH3MEN1

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-2520556-A1 Radiolabeled amino acids for diagnostic imaging Bayer Pharma Aktiengesellschaft (DE) 2012-11-07 EP disclosed