SCHEMBL10697029

SCHEMBL10697029

CSc1nc(Oc2c(Cl)cc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HIF1A Q16665 1/20 0.42
TXNRD1 Q16881 1/20 0.42
TXNRD3 Q86VQ6 1/20 0.42
TXNRD2 Q9NNW7 1/20 0.42
FGFR4 P22455 1/20 0.41
MEN1 O00255 1/20 0.40
TTR P02766 1/20 0.40
PPOX P50336 1/20 0.40
KMT2A Q03164 1/20 0.40
GABRP O00591 14/20 0.39
GABRD O14764 14/20 0.39
GABRA1 P14867 14/20 0.39
GABRB1 P18505 14/20 0.39
GABRG2 P18507 14/20 0.39

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
SCHEMBL10697700 0.84 TDP1 (0.47) TDP1ALDH1A1CYP3A4HPGDALOX15
SCHEMBL10698683 0.82 TDP1 (0.44) TDP1ALDH1A1CYP3A4HPGDALOX15
SCHEMBL10695727 0.82 TDP1 (0.42) TDP1ALDH1A1CYP3A4HPGDALOX15
SCHEMBL10697624 0.81 S1PR4 (0.44) TDP1ALDH1A1CYP3A4HPGDALOX15
SCHEMBL20476784 0.79 TXNRD1 (0.57) TXNRD1MAPTNPSR1
SCHEMBL20471448 0.78 CYP3A4 (0.39) TDP1ALDH1A1CYP3A4HPGDALOX15
SCHEMBL10697848 0.78 FGFR4 (0.45) TDP1ALDH1A1CYP3A4HPGDALOX15
SCHEMBL11650906 0.78 TDP1 (0.49) TDP1ALDH1A1CYP3A4HPGDALOX15
SCHEMBL10697235 0.78 TDP1 (0.41) TDP1ALDH1A1CYP3A4HPGDALOX15
SCHEMBL10698436 0.78 MEN1 (0.43) TDP1ALDH1A1CYP3A4HPGDALOX15

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