SCHEMBL10885337

SCHEMBL10885337

CC(C)S(=O)(=O)c1ccc(Oc2ccc([N+](=O)[O-])c(NCCC#N)c2)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.43
MAPT P10636 4/20 0.39
PKM P14618 2/20 0.39
LMNA P02545 2/20 0.39
MERTK Q12866 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TTR P02766 1/20 0.36
PPOX P50336 1/20 0.36
ALPG P10696 1/20 0.36
PTGDR Q13258 1/20 0.35
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 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
SCHEMBL10884127 0.90 TDP1 (0.45) TDP1MAPTPKMLMNAMERTK
SCHEMBL10885462 0.85 TDP1 (0.41) TDP1MAPTPKMLMNAMERTK
SCHEMBL10883652 0.85 TDP1 (0.45) TDP1MAPTPKMLMNAMEN1
SCHEMBL10884682 0.85 SIRT5 (0.46) TDP1MAPTPKMLMNAMEN1
SCHEMBL10888234 0.85 TDP1 (0.46) TDP1MAPTPKMLMNAMEN1
SCHEMBL10886267 0.83 TDP1 (0.45) TDP1MAPTPKMLMNAMEN1
SCHEMBL10886889 0.83 ALDH1A1 (0.44) TDP1MAPTPKMLMNAMEN1
SCHEMBL10888230 0.81 TDP1 (0.41) TDP1MAPTPKMLMNAMEN1
SCHEMBL10888131 0.81 TDP1 (0.42) TDP1MAPTPKMLMNAMEN1
SCHEMBL8693937 0.80 MEN1 (0.57) TDP1MAPTLMNAMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0126294-B1 NEW DIPHENYL ETHERS HAVING HERBICIDAL ACTIVITY DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1986-11-20 EP disclosed
US-4609753-A PRE- AND POSTEMERGENCE DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1986-09-02 US disclosed
EP-0126294-A1 New diphenyl ethers having herbicidal activity DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1984-11-28 EP disclosed