SCHEMBL9367473

SCHEMBL9367473

O=[N+]([O-])c1ccc(Oc2ccc(O)cc2)c(Cl)c1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.74
MEN1 O00255 8/20 0.66
KMT2A Q03164 8/20 0.66
GAA P10253 2/20 0.66
PKM P14618 1/20 0.66
ALDH1A1 P00352 8/20 0.62
MAPT P10636 5/20 0.62
KDM4E B2RXH2 1/20 0.57
HSPB1 P04792 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
LMNA P02545 3/20 0.51
GPR55 Q9Y2T6 1/20 0.51
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL2967458 0.88 PDE7A (0.78) PDE7AMEN1KMT2AGAAPKM
SCHEMBL11198374 0.86 PDE7A (0.76) PDE7AMEN1KMT2AGAAPKM
SCHEMBL10423251 0.85 PDE7A (0.66) PDE7AMEN1KMT2AGAAPKM
SCHEMBL22069562 0.85 PDE7A (0.74) PDE7AMEN1KMT2AGAAPKM
SCHEMBL11760667 0.85 PDE7A (1.00) PDE7AMEN1KMT2AGAAPKM
SCHEMBL4029870 0.84 PDE7A (0.73) PDE7AMEN1KMT2AGAAPKM
SCHEMBL3509441 0.84 PDE7A (0.68) PDE7AMEN1KMT2AGAAPKM
SCHEMBL3507438 0.84 MEN1 (0.65) PDE7AMEN1KMT2AGAAPKM
SCHEMBL11511746 0.84 PDE7A (0.71) PDE7AMEN1KMT2AGAAPKM
SCHEMBL10537196 0.83 ALDH1A1 (0.73) PDE7AMEN1KMT2AGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4914244-A FROM A PHENOL AND TRICHLOROMETHYL CHLOROFORMATE IN THE PRESENCE OF HYDROGEN FLUORIDE BAYER AKTIENGESELLSCHAFT (DE) 1990-04-03 US claimed
EP-0303415-B1 Herbicidally active phenoxy-alkanecarboxylic acid derivatives SUNTORY LTD (JP) 1994-11-30 EP disclosed
US-5205855-A Postemergence, preemergence herbicides SUNTORY LIMITED (JP) 1993-04-27 US disclosed
US-4976773-A SELECTIVITY BETWEEN MONOCOYLEDON PLANTS SUNTORY LIMITED (JP) 1990-12-11 US disclosed
EP-0239726-B1 PROCESS FOR THE PRODUCTION OF DIFLUOROCHLOROMETHOXYBENZENES BAYER AG (DE) 1989-03-15 EP disclosed
EP-0303415-A2 Herbicidally active phenoxy-alkanecarboxylic acid derivatives SUNTORY LIMITED (JP) 1989-02-15 EP disclosed
US-4761175-A M-anilido-urethanes and herbicides containing these compounds BASF AKTIENGESELLSCHAFT (DE) 1988-08-02 US disclosed
EP-0239726-A1 Process for the production of difluorochloromethoxybenzenes BAYER AG (DE) 1987-10-07 EP disclosed
US-4584396-A Substituted phenoxypropionates and herbicidal compositions NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-04-22 US disclosed
EP-0068260-B1 SUBSTITUTED PHENOXYPROPIONATES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-03-05 EP disclosed
EP-0086392-B1 HERBICIDAL AGENT CONTAINING METAMITRON IN COMBINATION WITH CERTAIN PHENOXYPROPIONIC-ACID ESTERS BAYER AG (DE) 1985-08-21 EP disclosed
US-4441913-A PRE- AND POST-EMERGENCE NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1984-04-10 US disclosed
EP-0086392-A1 Herbicidal agent containing metamitron in combination with certain phenoxypropionic-acid esters BAYER AG (DE) 1983-08-24 EP disclosed
EP-0084819-A2 Herbicidal agents containing methabenzthiazuron in combination with certain phenoxypropionic acid esters BAYER AG (DE) 1983-08-03 EP disclosed
EP-0068260-A2 Substituted phenoxypropionates, process for their preparation and their use as herbicides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1983-01-05 EP disclosed
US-4365991-A HERBICIDES HOFFMANN-LA ROCHE INC. (US) 1982-12-28 US disclosed
EP-0021324-B1 M-ANILIDO URETHANES AND HERBICIDAL COMPOSITIONS WHICH CONTAIN THEM BASF Aktiengesellschaft (DE) 1982-01-20 EP disclosed
EP-0035768-A2 Oxime esters, process and product for their preparation, their use and compositions containing these oxime esters F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-09-16 EP disclosed
US-4264769-A BY REACTING A DIHYDROXYBENZENE WITH A HETEROCYCLIC OR PHENYL HALIDE BAYER AKTIENGESELLSCHAFT (DE) 1981-04-28 US disclosed
EP-0021324-A1 m-Anilido urethanes and herbicidal compositions which contain them BASF Aktiengesellschaft (DE) 1981-01-07 EP disclosed