SCHEMBL10885462

SCHEMBL10885462

CC(CC#N)Nc1cc(Oc2ccc(S(=O)(=O)C(C)C)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
MERTK Q12866 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
TTR P02766 1/20 0.36
PPOX P50336 1/20 0.36
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
ALDH1A1 P00352 4/20 0.34
LMNA P02545 2/20 0.34
VCAM1 P19320 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
HSP90AA1 P07900 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PLA2G7 Q13093 1/20 0.34
SLC22A12 Q96S37 2/20 0.33
PDE7A Q13946 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
SCHEMBL10886245 0.92 TDP1 (0.41) TDP1MERTKMEN1KMT2ATTR
SCHEMBL10885337 0.85 TDP1 (0.43) TDP1MERTKMEN1KMT2ATTR
SCHEMBL10885953 0.81 TDP1 (0.48) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10889127 0.80 TDP1 (0.48) TDP1MERTKMEN1KMT2ATTR
SCHEMBL10887601 0.79 TDP1 (0.42) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10886929 0.79 TDP1 (0.44) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10903805 0.78 TDP1 (0.42) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10883652 0.78 TDP1 (0.45) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10888370 0.78 TDP1 (0.41) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10884682 0.78 SIRT5 (0.46) TDP1MEN1KMT2ATTRPPOX

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