SCHEMBL10948907

SCHEMBL10948907

O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1O

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.66
TDP1 Q9NUW8 2/20 0.54
MAPT P10636 4/20 0.53
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 3/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 2/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 2/20 0.46
HSPB1 P04792 1/20 0.46
GPR35 Q9HC97 1/20 0.45
KDM4E B2RXH2 1/20 0.45
TTR P02766 1/20 0.44
PPOX P50336 1/20 0.44

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
SCHEMBL9363097 0.90 TDP1 (0.66) PDE7ATDP1MAPTMEN1KMT2A
SCHEMBL810516 0.88 PDE7A (0.74) PDE7ATDP1MAPTMEN1KMT2A
SCHEMBL10943962 0.87 PDE7A (0.71) PDE7ATDP1MAPTMEN1KMT2A
SCHEMBL29780387 0.85 PDE7A (0.82) PDE7ATDP1MAPTMEN1KMT2A
SCHEMBL5863266 0.85 PDE7A (0.82) PDE7ATDP1MAPTMEN1KMT2A
SCHEMBL11014622 0.83 PDE7A (0.74) PDE7ATDP1MAPTMEN1KMT2A
SCHEMBL11772860 0.83 PDE7A (0.59) PDE7ATDP1MAPTMEN1KMT2A
SCHEMBL11053422 0.82 MEN1 (0.64) PDE7ATDP1MAPTMEN1KMT2A
SCHEMBL10387432 0.81 PDE7A (0.71) PDE7AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL11475236 0.81 PDE7A (0.76) PDE7ATDP1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4556520-A HERBICIDES, INSECTICIDES ZOECON CORPORATION (US) 1985-12-03 US disclosed
US-4536355-A Phenoxyphenylaminoalkylphosphinates useful in weed control ZOECON CORPORATION (US) 1985-08-20 US disclosed
US-4456464-A Phenoxy- and pyridyloxy-phenoxyalkyl phosphinates and related sulfur compounds for weed control ZOECON CORPORATION (US) 1984-06-26 US disclosed
EP-0078536-A2 Phosphinates and phosphonates and their use in the control of weeds SANDOZ AG (CH) 1983-05-11 EP disclosed