SCHEMBL10696669

SCHEMBL10696669

Nc1nc(Oc2ccc(C(F)(F)F)c(F)c2F)ccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
EPAS1 Q99814 2/20 0.37
VEGFA P15692 1/20 0.37
MAPT P10636 3/20 0.34
S1PR4 O95977 1/20 0.33
HSPB1 P04792 1/20 0.33
MAOA P21397 1/20 0.32
MEN1 O00255 2/20 0.32
TTR P02766 2/20 0.32
KMT2A Q03164 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
ALB P02768 1/20 0.32
THRB P10828 1/20 0.32
HTT P42858 2/20 0.32
LMNA P02545 2/20 0.32
KIF11 P52732 1/20 0.32
TXNRD1 Q16881 1/20 0.31
PPOX P50336 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SIRT6 Q8N6T7 1/20 0.30

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
SCHEMBL10698045 0.82 POLB (0.39) POLBEPAS1VEGFAMAPTS1PR4
SCHEMBL10702678 0.79 POLB (0.37) POLBEPAS1VEGFAMAPTS1PR4
SCHEMBL10697019 0.78 POLB (0.36) POLBMAPTMAOATXNRD1ALDH1A1
SCHEMBL10696364 0.77 EPAS1 (0.36) POLBEPAS1VEGFAMAPTMEN1
SCHEMBL10990765 0.76 TDP1 (0.55) POLBMAPTMEN1TTRKMT2A
SCHEMBL10696523 0.74 MAPT (0.36) POLBEPAS1VEGFAMAPTHSPB1
SCHEMBL10698562 0.74 TDP1 (0.34) POLBEPAS1VEGFAMAPTS1PR4
SCHEMBL10698177 0.73 TDP1 (0.36) POLBEPAS1VEGFAMAPTMEN1
SCHEMBL10698683 0.71 TDP1 (0.44) POLBMAPTMEN1TTRKMT2A
SCHEMBL10696869 0.70 TDP1 (0.41) POLBEPAS1MAPTMEN1TTR

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-0272533-A2 Substituted phenoxypyridines BAYER AG (DE) 1988-06-29 EP disclosed