SCHEMBL8640322

SCHEMBL8640322

O=c1cc(O)c2cccc([N+](=O)[O-])c2o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.56
MET P08581 1/20 0.50
CSNK2A2 P19784 1/20 0.48
CSNK2B P67870 1/20 0.48
CSNK2A1 P68400 1/20 0.48
CSNK2A3 Q8NEV1 1/20 0.48
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
CA1 P00915 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MCL1 Q07820 1/20 0.47
MAOA P21397 1/20 0.46
CTSB P07858 1/20 0.44
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 3/20 0.42
GAA P10253 2/20 0.42
CASP6 P55212 2/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL28480556 0.78 MET (0.61) METCA12CA9CA1MCL1
SCHEMBL30693881 0.78 MET (0.61) METCA12CA9CA1MCL1
SCHEMBL31323561 0.73 MET (0.56) METCA12CA9CA1MCL1
SCHEMBL2761835 0.73 MET (0.56) METCA12CA9CA1MCL1
SCHEMBL25603792 0.73 MET (0.56) METCA12CA9CA1MCL1
SCHEMBL2761879 0.73 MET (0.56) METCSNK2A2CSNK2BCSNK2A1CA12
SCHEMBL10381209 0.73 MET (0.56) METCA12CA9CA1MCL1
SCHEMBL3364130 0.72 GPR35 (0.52) GPR35TDP1MAOAALDH1A1MEN1
SCHEMBL4778868 0.72 GPR35 (0.63) GPR35TDP1MAOAALDH1A1MEN1
SCHEMBL4250005 0.72 GPR35 (1.00) GPR35CSNK2A2CSNK2BCSNK2A1CSNK2A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5808105-A 4-phenoxycoumarins as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1998-09-15 US disclosed
US-5759959-A SELECTIVE CONTROL OF MONOCOTYLEDENOUS WEEDS IN THE PRESENCE OF A CROP PLANT AMERICAN CYANAMID COMPANY (US) 1998-06-02 US disclosed
US-5681968-A EFFECTIVE TO CONTROL GRASS AND OTHER MONOCOTOLYDENOUS WEEDS AMERICAN CYANAMID COMPANY (US) 1997-10-28 US disclosed
US-5563280-A CONTROLLING MONOCOTYLEDENOUS WEEDS IN CROPS AMERICAN CYANAMID CO. (US) 1996-10-08 US disclosed
EP-0694257-A1 4-Phenoxycoumarins and thio derivatives thereof, their preparation and use as herbicides AMERICAN CYANAMID COMPANY (US) 1996-01-31 EP disclosed