SCHEMBL11068601

SCHEMBL11068601

O=[N+]([O-])c1c(Cl)cc(Oc2ccccc2)c(Cl)c1Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TTR P02766 1/20 0.49
ALB P02768 1/20 0.49
THRB P10828 1/20 0.49
EPAS1 Q99814 2/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 2/20 0.42
HPSE Q9Y251 1/20 0.40
MERTK Q12866 1/20 0.40
PDE7A Q13946 1/20 0.40
TSHR P16473 3/20 0.40
TLR4 O00206 1/20 0.39
TLR2 O60603 1/20 0.39
VEGFA P15692 1/20 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
SCHEMBL11283981 0.82 TDP1 (0.51) TDP1MEN1KMT2ATTRALB
SCHEMBL10975446 0.80 MEN1 (0.48) TDP1MEN1KMT2ATTRALB
SCHEMBL10976216 0.78 KMT2A (0.49) TDP1MEN1KMT2ATTRALB
SCHEMBL11126859 0.78 ALDH1A1 (0.52) TDP1MEN1KMT2ATTRALB
SCHEMBL11047126 0.77 TDP1 (0.56) TDP1MEN1KMT2ATTRALB
SCHEMBL10883530 0.76 TDP1 (0.71) TDP1MEN1KMT2ATTRALB
SCHEMBL10482222 0.75 TLR8 (0.60) TDP1MEN1KMT2ATTRALB
SCHEMBL10975930 0.75 MEN1 (0.57) TDP1MEN1KMT2ATTRALB
SCHEMBL10983781 0.75 KMT2A (0.47) TDP1MEN1KMT2ATTRALB
SCHEMBL8360647 0.75 MAPT (0.41) TDP1MEN1KMT2ATTRALB

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-0027555-B1 PROCESS FOR THE PREPARATION OF DIPHENYL ETHERS CELAMERCK GmbH & Co. KG (DE) 1984-01-04 EP disclosed