SCHEMBL10853848

SCHEMBL10853848

CCP(=O)(O)c1cc(Oc2ccc(Br)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.46
▸ ALDH1A1 P00352 5/20 0.43
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ TTR P02766 1/20 0.42
▸ PPOX P50336 1/20 0.42
▸ S1PR4 O95977 1/20 0.40
▸ PKM P14618 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ LMNA P02545 4/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ PDE7A Q13946 2/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ HPGD P15428 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36

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
SCHEMBL10857037 0.89 TDP1 (0.58) TDP1ALDH1A1MEN1KMT2ATTR
SCHEMBL10862805 0.86 TDP1 (0.45) TDP1ALDH1A1MEN1KMT2ATTR
SCHEMBL10852601 0.85 MEN1 (0.62) TDP1ALDH1A1MEN1KMT2ATTR
Hydrochloric Acid SCHEMBL10855963 0.84 MEN1 (0.61) TDP1ALDH1A1MEN1KMT2ATTR
SCHEMBL10860196 0.84 PDE7A (0.54) TDP1ALDH1A1MEN1KMT2AS1PR4
SCHEMBL10854591 0.81 TDP1 (0.41) TDP1ALDH1A1MEN1KMT2ATSHR
SCHEMBL11044970 0.80 TDP1 (0.42) TDP1ALDH1A1MEN1KMT2ATTR
SCHEMBL11051951 0.80 TDP1 (0.40) TDP1ALDH1A1MEN1KMT2ATTR
SCHEMBL10858973 0.79 TDP1 (0.51) TDP1ALDH1A1MEN1KMT2ATTR
SCHEMBL11046034 0.78 ALDH1A1 (0.43) TDP1ALDH1A1MEN1KMT2AGAA

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
US-4563310-A HERBICIDES ZOECON CORPORATION (US) 1986-01-07 — — US disclosed
US-4456465-A HERBICIDES ZOECON CORPORATION (US) 1984-06-26 — — US disclosed
EP-0065374-A1 Substituted phosphinates and phosphinothioates and their use for the control of weeds ZOECON CORPORATION (US) 1982-11-24 — — EP disclosed
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