SCHEMBL10698562

SCHEMBL10698562

Nc1nc(Oc2c(F)c(F)c(C(F)(F)F)c(F)c2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.34
TXNRD1 Q16881 3/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HIF1A Q16665 1/20 0.34
TXNRD3 Q86VQ6 1/20 0.34
TXNRD2 Q9NNW7 1/20 0.34
MEN1 O00255 1/20 0.33
TTR P02766 1/20 0.33
ALB P02768 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
VEGFA P15692 1/20 0.31
EPAS1 Q99814 1/20 0.31
MAPT P10636 3/20 0.31
NPSR1 Q6W5P4 2/20 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
SCHEMBL10697019 0.93 POLB (0.36) TXNRD1ALDH1A1TSHRPOLBMAPT
SCHEMBL10696364 0.82 EPAS1 (0.36) TDP1TXNRD1ALDH1A1CYP3A4HPGD
SCHEMBL10698683 0.79 TDP1 (0.44) TDP1TXNRD1ALDH1A1CYP3A4HPGD
SCHEMBL10698177 0.78 TDP1 (0.36) TDP1TXNRD1ALDH1A1CYP3A4HPGD
SCHEMBL10696869 0.77 TDP1 (0.41) TDP1TXNRD1ALDH1A1CYP3A4HPGD
SCHEMBL10696523 0.77 MAPT (0.36) TDP1TXNRD1ALDH1A1CYP3A4ALOX15
SCHEMBL10696669 0.74 POLB (0.39) TDP1TXNRD1ALDH1A1HPGDMEN1
SCHEMBL10702678 0.73 POLB (0.37) TDP1TXNRD1ALDH1A1CYP3A4HPGD
SCHEMBL10990765 0.72 TDP1 (0.55) TDP1TXNRD1ALDH1A1CYP3A4HPGD
SCHEMBL10696278 0.71 EPAS1 (0.37) TDP1TXNRD1ALDH1A1CYP3A4HPGD

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