SCHEMBL10888131

SCHEMBL10888131

COCCOC(=O)CCNc1cc(Oc2ccc(S(=O)(=O)C(C)C)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.42
MAPT P10636 3/20 0.41
LMNA P02545 3/20 0.41
FBP1 P09467 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
ALPG P10696 1/20 0.38
SIRT5 Q9NXA8 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
BCL6 P41182 1/20 0.37
BCOR Q6W2J9 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.36
TTR P02766 1/20 0.36
PPOX P50336 1/20 0.36
KMT2A Q03164 1/20 0.36
PKM P14618 1/20 0.36
PTGDR Q13258 1/20 0.35
CASP6 P55212 1/20 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
SCHEMBL10903551 0.98 TDP1 (0.41) TDP1MAPTLMNAFBP1SMN1; SMN2
SCHEMBL10888234 0.92 TDP1 (0.46) TDP1MAPTLMNAFBP1SMN1; SMN2
SCHEMBL10886016 0.91 TDP1 (0.44) TDP1MAPTLMNAFBP1SMN1; SMN2
SCHEMBL10887113 0.91 TDP1 (0.40) TDP1MAPTLMNAFBP1SMN1; SMN2
SCHEMBL10886426 0.89 TDP1 (0.42) TDP1MAPTLMNAFBP1SMN1; SMN2
SCHEMBL10888230 0.89 TDP1 (0.41) TDP1MAPTLMNAFBP1SMN1; SMN2
SCHEMBL10886889 0.88 ALDH1A1 (0.44) TDP1MAPTLMNAFBP1SMN1; SMN2
SCHEMBL10883652 0.87 TDP1 (0.45) TDP1MAPTLMNAFBP1SIRT5
SCHEMBL10886267 0.87 TDP1 (0.45) TDP1MAPTLMNAFBP1SMN1; SMN2
SCHEMBL10891107 0.86 TDP1 (0.43) TDP1MAPTLMNAFBP1SMN1; SMN2

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