SCHEMBL10696364

SCHEMBL10696364

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 2/20 0.36
VEGFA P15692 1/20 0.36
TDP1 Q9NUW8 4/20 0.35
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HIF1A Q16665 1/20 0.35
TXNRD1 Q16881 1/20 0.35
TXNRD3 Q86VQ6 1/20 0.35
TXNRD2 Q9NNW7 1/20 0.35
FGFR4 P22455 1/20 0.34
MAPT P10636 2/20 0.33
KIF11 P52732 5/20 0.33
MEN1 O00255 2/20 0.33
TTR P02766 2/20 0.33
KMT2A Q03164 2/20 0.33
PPOX P50336 1/20 0.33
DHFR P00374 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
SCHEMBL10698177 0.92 TDP1 (0.36) EPAS1VEGFATDP1TSHRALDH1A1
SCHEMBL10696278 0.90 EPAS1 (0.37) EPAS1VEGFATDP1TSHRALDH1A1
SCHEMBL10698683 0.84 TDP1 (0.44) TDP1TSHRALDH1A1CYP3A4HPGD
SCHEMBL10696869 0.82 TDP1 (0.41) EPAS1TDP1TSHRALDH1A1CYP3A4
SCHEMBL10698562 0.82 TDP1 (0.34) EPAS1VEGFATDP1TSHRALDH1A1
SCHEMBL10702678 0.80 POLB (0.37) EPAS1VEGFATDP1TSHRALDH1A1
SCHEMBL10697019 0.79 POLB (0.36) TSHRALDH1A1TXNRD1MAPTNPSR1
SCHEMBL10697964 0.78 KDM4E (0.40) TDP1ALDH1A1HPGDMAPTMEN1
SCHEMBL10696298 0.77 ALDH1A1 (0.34) TDP1TSHRALDH1A1CYP3A4HPGD
SCHEMBL10696669 0.77 POLB (0.39) EPAS1VEGFATDP1ALDH1A1HPGD

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