SCHEMBL10698045

SCHEMBL10698045

Nc1nc(Oc2cc(F)c(C(F)(F)F)cc2F)ccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
HSPB1 P04792 3/20 0.37
MAPT P10636 3/20 0.36
EPAS1 Q99814 2/20 0.34
VEGFA P15692 1/20 0.34
MAP4K4 O95819 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 2/20 0.33
S1PR4 O95977 1/20 0.32
SIRT6 Q8N6T7 1/20 0.32
MPL P40238 1/20 0.32
CYP3A4 P08684 2/20 0.32
AR P10275 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CES2 O00748 1/20 0.32
ABCB11 O95342 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
GLA P06280 1/20 0.32

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
SCHEMBL10702678 0.90 POLB (0.37) POLBHSPB1MAPTEPAS1VEGFA
SCHEMBL10696669 0.82 POLB (0.39) POLBHSPB1MAPTEPAS1VEGFA
SCHEMBL10696523 0.78 MAPT (0.36) POLBHSPB1MAPTEPAS1VEGFA
SCHEMBL10696364 0.76 EPAS1 (0.36) POLBMAPTEPAS1VEGFATDP1
SCHEMBL10990765 0.75 TDP1 (0.55) POLBMAPTTDP1ALDH1A1CYP3A4
SCHEMBL10698177 0.74 TDP1 (0.36) POLBMAPTEPAS1VEGFATDP1
SCHEMBL10697019 0.74 POLB (0.36) POLBMAPTALDH1A1ARSMN1; SMN2
SCHEMBL10696869 0.74 TDP1 (0.41) POLBMAPTEPAS1TDP1ALDH1A1
SCHEMBL10698683 0.72 TDP1 (0.44) POLBMAPTTDP1ALDH1A1CYP3A4
SCHEMBL10698562 0.71 TDP1 (0.34) POLBMAPTEPAS1VEGFATDP1

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