SCHEMBL10698436

SCHEMBL10698436

CC(O)(C(=O)O)c1nc(Oc2c(Cl)cc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
TTR P02766 1/20 0.43
PPOX P50336 1/20 0.43
FGFR4 P22455 1/20 0.38
CYP3A4 P08684 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HIF1A Q16665 1/20 0.38
TXNRD1 Q16881 1/20 0.38
TXNRD3 Q86VQ6 1/20 0.38
TXNRD2 Q9NNW7 1/20 0.38
RAB9A P51151 1/20 0.35
AR P10275 3/20 0.34
POLB P06746 2/20 0.34
PGR P06401 1/20 0.34
EIF4E P06730 1/20 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
SCHEMBL10697235 0.92 TDP1 (0.41) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10697700 0.80 TDP1 (0.47) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10697848 0.78 FGFR4 (0.45) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10698683 0.78 TDP1 (0.44) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10699015 0.78 TDP1 (0.42) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10695727 0.78 TDP1 (0.42) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10697029 0.78 TDP1 (0.42) MEN1KMT2ATDP1TTRPPOX
SCHEMBL9854877 0.77 TDP1 (0.55) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10697624 0.77 S1PR4 (0.44) MEN1KMT2ATDP1TTRPPOX
SCHEMBL20476784 0.75 TXNRD1 (0.57) TXNRD1MAPTHTTNPSR1

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