Dinoterb

Dinoterb

SCHEMBL9006380

CC(C)(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O.Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O

nearest known ligand 0.76

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 7/20 0.76
ALDH1A1 P00352 4/20 0.76
KMT2A Q03164 4/20 0.68
MEN1 O00255 3/20 0.68
HTT P42858 3/20 0.68
L3MBTL1 Q9Y468 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
GALR3 O60755 1/20 0.68
MAPK1 P28482 3/20 0.51
TDP1 Q9NUW8 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
MAPT P10636 2/20 0.51
HPGD P15428 2/20 0.51
KDM4E B2RXH2 1/20 0.51
TTR P02766 1/20 0.51
ALOX15 P16050 1/20 0.51
ALOX12 P18054 1/20 0.51
RECQL P46063 1/20 0.51
PMP22 Q01453 1/20 0.51

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
Dinoterb SCHEMBL8535102 0.92 KMT2A (0.79) GPR35ALDH1A1KMT2AMEN1HTT
Dinoterb SCHEMBL53794 0.92 KMT2A (0.79) GPR35ALDH1A1KMT2AMEN1HTT
Dinoterb SCHEMBL29487271 0.92 KMT2A (0.79) GPR35ALDH1A1KMT2AMEN1HTT
Dinoterb SCHEMBL424259 0.91 KMT2A (0.77) GPR35ALDH1A1KMT2AMEN1HTT
SCHEMBL19130787 0.91 MEN1 (0.82) GPR35ALDH1A1KMT2AMEN1HTT
Dinitro Cresol SCHEMBL29430312 0.87 GPR35 (1.00) GPR35ALDH1A1KMT2AMEN1HTT
Dinitro Cresol SCHEMBL8873755 0.87 GPR35 (1.00) GPR35ALDH1A1KMT2AMEN1HTT
Dinitro Cresol SCHEMBL20734 0.87 GPR35 (1.00) GPR35ALDH1A1KMT2AMEN1HTT
Dinoterb SCHEMBL11379609 0.86 KMT2A (0.70) GPR35ALDH1A1KMT2AMEN1HTT
Dinitro Cresol SCHEMBL11806791 0.86 GPR35 (0.68) GPR35ALDH1A1KMT2AMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0735820-A1 HERBICIDAL DIPHENYL ETHER AND NITROGEN SOLUTION COMPOSITIONS AND METHOD ZENECA LIMITED (GB) 1996-10-09 EP disclosed
WO-1995017094-A1 HERBICIDAL DIPHENYL ETHER AND NITROGEN SOLUTION COMPOSITIONS AND METHOD ZENECA LIMITED (GB) 1995-06-29 WO disclosed
EP-0584227-A1 HERBICIDAL SUBSTITUTED CYCLOHEXANEDIONE AND NITROGEN FERTILISER COMPOSITIONS AND METHOD. ZENECA LTD (GB) 1994-03-02 EP disclosed