SCHEMBL7215312

SCHEMBL7215312

Nc1ccc(Cc2cnccn2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.35
CYP2D6 P10635 4/20 0.34
HRH1 P35367 4/20 0.34
KCNH2 Q12809 2/20 0.34
MAPT P10636 3/20 0.33
HSP90AA1 P07900 1/20 0.33
KCNK13 Q9HB14 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
AKR1B1 P15121 1/20 0.32
ALOX5AP P20292 2/20 0.32
FEN1 P39748 2/20 0.32
MAP4K4 O95819 1/20 0.32
MAPK1 P28482 2/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL7210341 0.76 KMT2A (0.45) MAPT
SCHEMBL26037690 0.75 ADRA2B (0.50) ADRA2BMAPTAKR1B1MAPK1GAA
SCHEMBL31175766 0.75 ADRA2B (0.50) ADRA2BMAPTAKR1B1MAPK1GAA
SCHEMBL14223271 0.74 ADRA2B (0.49) ADRA2BLOXL2MAPTMAPK1GAA
SCHEMBL25577644 0.74 ADRA2B (0.49) ADRA2BLOXL2MAPTMAPK1GAA
SCHEMBL5305737 0.73 CYP2D6 (0.43) CYP2D6HRH1KCNH2MAPK1GAA
SCHEMBL6757761 0.72 HSP90AA1 (0.36) CYP2D6HRH1KCNH2HSP90AA1MAP4K4
SCHEMBL22263575 0.70 CYP3A4 (0.39) CYP2D6HRH1KCNH2HSP90AA1L3MBTL1
SCHEMBL1137040 0.70 ADRA2B (0.48) ADRA2BLOXL2
SCHEMBL21044403 0.69 FEN1 (0.57) ALOX5APFEN1

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
US-6617339-B1 5-Isoxazolyloxymethyl-3-((dihydroxypropanoyl)-4-tetrahydropyri dyl-3,5- difluorophenyl)oxazolidinone, or the phosphated derivative or its disodium salt; antibiotic with useful activity against Grampositive pathogens SYNGENTA LIMITED (GB) 2003-09-09 US disclosed