SCHEMBL7818103

SCHEMBL7818103

CC(Oc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-])C(=O)Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
TDP1 Q9NUW8 2/20 0.65
TTR P02766 1/20 0.65
PPOX P50336 1/20 0.65
FFAR1 O14842 5/20 0.47
LMNA P02545 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 3/20 0.41
POLB P06746 2/20 0.41
CCR6 P51684 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
KCNH2 Q12809 1/20 0.41
ALDH1A1 P00352 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL9201395 0.92 TDP1 (0.68) MEN1KMT2ATDP1TTRPPOX
Hydrochloric Acid SCHEMBL7818106 0.91 TDP1 (0.67) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11090530 0.91 MEN1 (0.53) MEN1KMT2ATDP1TTRPPOX
SCHEMBL9198781 0.90 MEN1 (0.63) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11195278 0.89 MEN1 (0.51) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11154481 0.89 MEN1 (0.50) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11087612 0.89 MEN1 (0.48) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10614668 0.89 MEN1 (0.61) MEN1KMT2ATDP1TTRPPOX
SCHEMBL7810429 0.88 TDP1 (0.56) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11094022 0.87 MEN1 (0.62) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0648746-B1 Cyanoketone derivative and herbicide containing it as an active component TOKUYAMA CORP (JP) 2001-07-18 EP disclosed
EP-0768085-A1 ANTIBACTERIAL AGENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-04-16 EP disclosed
EP-0761215-A1 ANTIBACTERIAL AGENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-03-12 EP disclosed
EP-0648746-A2 Cyanoketone derivative and herbicide containing it as an active component TOKUYAMA CORPORATION (JP) 1995-04-19 EP disclosed
US-4792616-A Diaryl ethers HOFFMANN-LA ROCHE INC. (US) 1988-12-20 US disclosed
EP-0138183-A2 Diarylethers and their use as herbicides F. HOFFMANN-LA ROCHE AG (CH) 1985-04-24 EP disclosed
US-4478634-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1984-10-23 US disclosed
US-4404018-A Furfuryl amides of phenoxyphenoxyalkanoic acids and herbicidal use VELSICOL CHEMICAL CORPORATION (US) 1983-09-13 US disclosed
US-4402729-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1983-09-06 US disclosed
US-4402727-A Substituted azolylalkyl phenoxyphenoxyalkane-carboxylates as herbicides and plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1983-09-06 US disclosed
EP-0073880-A2 Substituted phenoxyphenoxyalkanecarbonacid-azolyl-alkyl esters, process for their preparation and their use as herbicides and plant growth regulators BAYER AG (DE) 1983-03-16 EP disclosed