SCHEMBL11020865

SCHEMBL11020865

CC(=O)NOC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.71
▸ KMT2A Q03164 4/20 0.71
▸ TDP1 Q9NUW8 3/20 0.71
▸ TTR P02766 1/20 0.71
▸ PPOX P50336 1/20 0.71
▸ PYGL P06737 1/20 0.45
▸ FFAR1 O14842 3/20 0.44
▸ GAA P10253 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ LMNA P02545 5/20 0.44
▸ MAPT P10636 3/20 0.44
▸ NPSR1 Q6W5P4 3/20 0.44
▸ POLB P06746 2/20 0.44
▸ CCR6 P51684 1/20 0.44
▸ GPR55 Q9Y2T6 1/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 2/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40

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
SCHEMBL11023773 0.91 MEN1 (0.70) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10451961 0.91 MEN1 (0.69) MEN1KMT2ATDP1TTRPPOX
Acifluorfen-Methyl SCHEMBL31614705 0.89 MEN1 (0.78) MEN1KMT2ATDP1TTRPPOX
Acifluorfen-Methyl SCHEMBL39092 0.89 MEN1 (0.78) MEN1KMT2ATDP1TTRPPOX
Acifluorfen-Methyl SCHEMBL30749491 0.89 MEN1 (0.78) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11024062 0.88 MEN1 (0.66) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11441530 0.87 TDP1 (0.82) MEN1KMT2ATDP1TTRPPOX
SCHEMBL6752643 0.87 MEN1 (0.82) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11020633 0.87 TDP1 (0.69) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11361666 0.86 TDP1 (0.68) MEN1KMT2ATDP1TTRPPOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0066989-B1 NOVEL SUBSTITUTED NITRODIPHENYL ETHERS, HERBICIDAL COMPOSITIONS CONTAINING THEM, A PROCESS FOR THE PREPARATION OF THE NITRODIPHENYL ETHERS AND THE USE THEREOF FOR COMBATING WEEDS ROHM AND HAAS COMPANY (US) 1985-03-20 — — EP disclosed
EP-0066989-A2 Novel substituted nitrodiphenyl ethers, herbicidal compositions containing them, a process for the preparation of the nitrodiphenyl ethers and the use thereof for combating weeds ROHM AND HAAS COMPANY (US) 1982-12-15 — — EP disclosed
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