SCHEMBL19019685

SCHEMBL19019685

COc1c(C)ccc(-c2cc(N)c(C)c(C(=O)O)n2)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38
PRKAG2 Q9UGJ0 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
TGM2 P21980 1/20 0.37
PDE4A P27815 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
GALK1 P51570 1/20 0.37

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
SCHEMBL22181100 0.89 KDM4E (0.35) SMN1; SMN2KDM4ERAB9AALOX5APFEN1
SCHEMBL2468809 0.88 PRKAB2 (0.36) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL1918578 0.88 KDM4E (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL20368951 0.88 RAD52 (0.34) ALOX5APFEN1RAD52RIPK1ADORA2A
SCHEMBL13320682 0.80 NUDT1 (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3327356 0.80 NQO2 (0.35) SMN1; SMN2KDM4EPOLBMAPTRAB9A
SCHEMBL22181344 0.79 PRKAB2 (0.36) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL19445458 0.79 PDE4B (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL1918762 0.78 KDM4E (0.39) SMN1; SMN2KDM4EL3MBTL1
SCHEMBL3840682 0.77 PTPN11 (0.37) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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-2947988-B9 HERBICIDAL COMPOSITIONS COMPRISING 4-AMINO-3-CHLORO-6-(4-CHLORO-2-FLUORO-3-METHOXYPHENYL)PYRIDINE-2-CARBOXYLIC ACID DOW AGROSCIENCES LLC (US) 2019-01-23 EP disclosed
EP-2947988-B1 HERBICIDAL COMPOSITIONS COMPRISING 4-AMINO-3-CHLORO-6-(4-CHLORO-2-FLUORO-3-METHOXYPHENYL)PYRIDINE-2-CARBOXYLIC ACID DOW AGROSCIENCES LLC (US) 2018-07-25 EP disclosed
EP-2787818-B1 HERBICIDAL COMPOSITION COMPRISING CERTAIN ESTERS OR THE POTASSIUM SALT OF 4-AMINO-6-(4-CHLORO-2-FLUORO-3-METHOXYPHENYL)PYRIDINE-2-CARBOXYLIC ACID AND THE DIMETHYL AMINE SALT OF (2,4-DICHLOROPHENOXY)ACETIC ACID DOW AGROSCIENCES LLC (US) 2017-06-21 EP disclosed