SCHEMBL10696732

SCHEMBL10696732

COC(=O)COc1nc(Oc2c(Cl)cc(OC(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 2/20 0.39
TDP1 Q9NUW8 2/20 0.37
KMT2A Q03164 4/20 0.37
KDM4E B2RXH2 1/20 0.37
MERTK Q12866 1/20 0.35
PDK2 Q15119 1/20 0.35
MAPT P10636 3/20 0.35
POLB P06746 1/20 0.35
PTGS2 P35354 1/20 0.34
PIN1 Q13526 1/20 0.34
MEN1 O00255 3/20 0.34
TTR P02766 1/20 0.34
PPOX P50336 1/20 0.34
LMNA P02545 1/20 0.34
THRB P10828 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MITF O75030 1/20 0.33

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
SCHEMBL10698024 0.90 THRB (0.38) TXNRD1TDP1KMT2AKDM4EMERTK
SCHEMBL6641789 0.76 TXNRD1 (0.56) TXNRD1MAPTPTGS2
SCHEMBL20471446 0.75 TXNRD1 (0.50) TXNRD1MAPT
SCHEMBL20471458 0.75 TXNRD1 (0.39) TXNRD1TDP1KMT2AMERTKMAPT
SCHEMBL10697964 0.74 KDM4E (0.40) TDP1KMT2AKDM4EMAPTMEN1
SCHEMBL6639747 0.74 MERTK (0.54) TXNRD1TDP1KMT2AKDM4EMERTK
SCHEMBL6644384 0.72 TDP1 (0.31) TXNRD1TDP1KMT2AMAPTMEN1
SCHEMBL27631561 0.70 PTGS2 (0.53) TDP1KMT2AKDM4EMAPTPTGS2
SCHEMBL10699015 0.69 TDP1 (0.42) TXNRD1TDP1KMT2AMAPTPOLB
SCHEMBL10697439 0.68 MEN1 (0.38) TXNRD1TDP1KMT2AKDM4EMAPT

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