SCHEMBL20425261

SCHEMBL20425261

C#CCOc1cc(-n2nc(C(C)(C)C)oc2=O)c(Cl)cc1Cl.[Zn]=P[Zn]P=[Zn]

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPOX P50336 17/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
NR1I2 O75469 1/20 0.57

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
SCHEMBL39055 0.92 PPOX (0.65) PPOXMEN1KMT2ATDP1NR1I2
Acetone SCHEMBL532802 0.88 PPOX (0.61) PPOXMEN1KMT2ATDP1NR1I2
Isopropylamine SCHEMBL19641800 0.87 PPOX (0.66) PPOXMEN1KMT2ATDP1NR1I2
Oxadiazon SCHEMBL4659772 0.86 PPOX (0.79) PPOXMEN1KMT2ATDP1NR1I2
SCHEMBL14505698 0.84 PPOX (0.57) PPOXMEN1KMT2ATDP1NR1I2
SCHEMBL10437860 0.83 PPOX (0.53) PPOXMEN1KMT2ATDP1NR1I2
Ioxynil SCHEMBL7581894 0.81 PPOX (0.52) PPOXMEN1KMT2ATDP1NR1I2
Simazine SCHEMBL7579114 0.81 PPOX (0.52) PPOXMEN1KMT2ATDP1NR1I2
Clopyralid SCHEMBL7576728 0.81 PPOX (0.52) PPOXMEN1KMT2ATDP1NR1I2
S,S,S,-Tributylphosphorotrithioate SCHEMBL7596379 0.81 PPOX (0.52) PPOXMEN1KMT2ATDP1NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3573465-A1 METHODS AND RELATED COMPOSITIONS FOR MANUFACTURING FOOD AND FEED Flagship Pioneering Innovations V, Inc. (US) 2019-12-04 EP disclosed
EP-3573638-A1 COMPOSITIONS AND RELATED METHODS FOR CONTROLLING VECTOR-BORNE DISEASES Flagship Pioneering Innovations V, Inc. (US) 2019-12-04 EP disclosed
WO-2018156998-A1 COMPOSITIONS AND RELATED METHODS FOR MODULATING ENDOSYMBIONTS FLAGSHIP PIONEERING, INC. (US) 2018-08-30 WO disclosed
WO-2018140519-A1 COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE FLAGSHIP PIONEERING, INC. (US) 2018-08-02 WO disclosed
WO-2018140507-A1 COMPOSITIONS AND RELATED METHODS FOR CONTROLLING VECTOR-BORNE DISEASES FLAGSHIP PIONEERING, INC. (US) 2018-08-02 WO disclosed
WO-2018140496-A1 METHODS AND RELATED COMPOSITIONS FOR MANUFACTURING FOOD AND FEED FLAGSHIP PIONEERING, INC. (US) 2018-08-02 WO disclosed
WO-2018140479-A1 COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE FLAGSHIP PIONEERING, INC. (US) 2018-08-02 WO disclosed
WO-2018140518-A1 COMPOSITIONS AND RELATED METHODS FOR CONTROLLING VECTOR-BORNE DISEASES FLAGSHIP PIONEERING, INC. (US) 2018-08-02 WO disclosed