SCHEMBL10696523

SCHEMBL10696523

Nc1nc(Oc2cc(F)c(C(F)(F)F)c(F)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.36
NPSR1 Q6W5P4 2/20 0.36
POLB P06746 2/20 0.35
MAP4K4 O95819 1/20 0.35
TDP1 Q9NUW8 5/20 0.35
ATM Q13315 1/20 0.35
ALDH1A1 P00352 4/20 0.34
HSPB1 P04792 1/20 0.33
RAB9A P51151 1/20 0.33
HTT P42858 1/20 0.33
VEGFA P15692 1/20 0.33
EPAS1 Q99814 1/20 0.33
TXNRD1 Q16881 1/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 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
SCHEMBL10697019 0.81 POLB (0.36) MAPTNPSR1POLBALDH1A1TXNRD1
SCHEMBL10698045 0.78 POLB (0.39) MAPTNPSR1POLBMAP4K4TDP1
SCHEMBL10698562 0.77 TDP1 (0.34) MAPTNPSR1POLBTDP1ALDH1A1
SCHEMBL4059037 0.76 MEN1 (0.51) MAPTNPSR1MAP4K4TDP1ALDH1A1
SCHEMBL10696869 0.75 TDP1 (0.41) MAPTNPSR1POLBTDP1ALDH1A1
SCHEMBL10702678 0.75 POLB (0.37) MAPTNPSR1POLBMAP4K4TDP1
SCHEMBL10698683 0.74 TDP1 (0.44) MAPTNPSR1POLBTDP1ALDH1A1
SCHEMBL10696669 0.74 POLB (0.39) MAPTNPSR1POLBTDP1ALDH1A1
SCHEMBL10696364 0.73 EPAS1 (0.36) MAPTNPSR1POLBTDP1ALDH1A1
SCHEMBL10990765 0.72 TDP1 (0.55) MAPTNPSR1POLBTDP1ALDH1A1

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