SCHEMBL10695727

SCHEMBL10695727

CN(C)c1nc(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 5/20 0.42
CYP3A4 P08684 4/20 0.42
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.42
TXNRD1 Q16881 2/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HIF1A Q16665 1/20 0.42
TXNRD3 Q86VQ6 1/20 0.42
TXNRD2 Q9NNW7 1/20 0.42
FGFR4 P22455 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
TTR P02766 1/20 0.40
PPOX P50336 1/20 0.40
POLB P06746 1/20 0.37
MAPK1 P28482 2/20 0.36
MAPT P10636 6/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35

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) TDP1CYP3A4ALDH1A1TSHRTXNRD1
SCHEMBL10697769 0.84 TDP1 (0.38) TDP1CYP3A4ALDH1A1TSHRTXNRD1
SCHEMBL10698683 0.82 TDP1 (0.44) TDP1CYP3A4ALDH1A1TSHRTXNRD1
SCHEMBL10697029 0.82 TDP1 (0.42) TDP1CYP3A4ALDH1A1TSHRTXNRD1
SCHEMBL10697624 0.81 S1PR4 (0.44) TDP1CYP3A4ALDH1A1TSHRTXNRD1
SCHEMBL20476784 0.79 TXNRD1 (0.57) TXNRD1MAPK1MAPTNPSR1GSR
SCHEMBL10697848 0.78 FGFR4 (0.45) TDP1CYP3A4ALDH1A1TSHRTXNRD1
SCHEMBL20471448 0.78 CYP3A4 (0.39) TDP1CYP3A4ALDH1A1TSHRTXNRD1
SCHEMBL10697235 0.78 TDP1 (0.41) TDP1CYP3A4ALDH1A1TSHRTXNRD1
SCHEMBL10698436 0.78 MEN1 (0.43) TDP1CYP3A4ALDH1A1TSHRTXNRD1

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