SCHEMBL10696869

SCHEMBL10696869

Nc1nc(Oc2c(F)cc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.41
CYP3A4 P08684 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.41
TXNRD1 Q16881 1/20 0.41
TXNRD3 Q86VQ6 1/20 0.41
TXNRD2 Q9NNW7 1/20 0.41
FGFR4 P22455 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
TTR P02766 1/20 0.39
PPOX P50336 1/20 0.39
MAPT P10636 8/20 0.39
NPSR1 Q6W5P4 2/20 0.39
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 2/20 0.34

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
SCHEMBL10698683 0.93 TDP1 (0.44) TDP1CYP3A4ALDH1A1HPGDALOX15
SCHEMBL10696364 0.82 EPAS1 (0.36) TDP1CYP3A4ALDH1A1HPGDALOX15
SCHEMBL10990765 0.82 TDP1 (0.55) TDP1CYP3A4ALDH1A1HPGDALOX15
SCHEMBL10697700 0.81 TDP1 (0.47) TDP1CYP3A4ALDH1A1HPGDALOX15
SCHEMBL10698177 0.81 TDP1 (0.36) TDP1CYP3A4ALDH1A1HPGDALOX15
SCHEMBL8693586 0.80 MEN1 (0.47) TDP1CYP3A4ALDH1A1HPGDALOX15
SCHEMBL9332004 0.80 TDP1 (0.45) TDP1CYP3A4ALDH1A1HPGDALOX15
SCHEMBL9134954 0.78 TDP1 (0.50) TDP1CYP3A4ALDH1A1HPGDALOX15
SCHEMBL8693593 0.78 MEN1 (0.50) TDP1CYP3A4ALDH1A1HPGDALOX15
SCHEMBL10702678 0.78 POLB (0.37) TDP1CYP3A4ALDH1A1HPGDALOX15

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