SCHEMBL11276396

SCHEMBL11276396

COC(=O)c1cc(Oc2ccc(OC)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.83
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
TTR P02766 1/20 0.56
PPOX P50336 1/20 0.56
ALDH1A1 P00352 3/20 0.51
MAPT P10636 3/20 0.51
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PKM P14618 2/20 0.46
AKR1C3 P42330 2/20 0.46
AKR1C2 P52895 2/20 0.46
GAA P10253 1/20 0.46
AKR1B10 O60218 1/20 0.46
AKR1B1 P15121 1/20 0.46
AKR1C4 P17516 1/20 0.46
AKR1C1 Q04828 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CYP1A2 P05177 1/20 0.46

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
Bifenox SCHEMBL30862569 0.91 TDP1 (1.00) TDP1MEN1KMT2ATTRPPOX
Bifenox SCHEMBL8541647 0.91 TDP1 (1.00) TDP1MEN1KMT2ATTRPPOX
Bifenox SCHEMBL38816 0.91 TDP1 (1.00) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10789320 0.89 TDP1 (0.81) TDP1MEN1KMT2ATTRPPOX
Bifenox SCHEMBL28419037 0.89 TDP1 (0.98) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10786433 0.88 TDP1 (0.79) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10792602 0.88 TDP1 (0.78) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10690824 0.87 TDP1 (0.78) TDP1MEN1KMT2ATTRPPOX
SCHEMBL87462 0.87 TDP1 (0.77) TDP1MEN1KMT2ATTRPPOX
SCHEMBL268414 0.86 TDP1 (0.62) TDP1MEN1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0063873-A1 Haloalkoxy-substituted diphenyl ethers; their use as herbicides and in herbicidal compositions and processes of making them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-11-03 EP disclosed