SCHEMBL1919622

SCHEMBL1919622

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ADORA3 P0DMS8 4/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
ADORA2A P29274 4/20 0.36
ADORA2B P29275 2/20 0.36
KMO O15229 1/20 0.36
RIPK1 Q13546 1/20 0.35
MEP1B Q16820 1/20 0.35
ABL1 P00519 1/20 0.35
ADORA1 P30542 1/20 0.35
TSHR P16473 1/20 0.34
NUDT1 P36639 1/20 0.34

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
SCHEMBL1918400 0.91 ALDH1A1 (0.43) ALDH1A1ADORA3TAS1R3TAS1R1TAS1R2
SCHEMBL15488811 0.90 ALDH1A1 (0.38) ALDH1A1KDM4EHSD17B10ADORA3TAS1R3
SCHEMBL28774834 0.89 RORC (0.40) ALDH1A1KDM4EHSD17B10ADORA3TAS1R3
SCHEMBL3841889 0.89 ALOX5AP (0.39) KDM4EHSD17B10ADORA3ADORA2AADORA2B
SCHEMBL19012490 0.89 ALDH1A1 (0.39) ALDH1A1KDM4EHSD17B10TAS1R3TAS1R1
SCHEMBL3840756 0.89 CLCN2 (0.35) ALDH1A1KDM4EHSD17B10ADORA3ADORA2A
SCHEMBL28792444 0.89 RIPK1 (0.35) ALDH1A1KDM4EHSD17B10RIPK1ABL1
SCHEMBL3837464 0.89 ADORA3 (0.38) KDM4EHSD17B10ADORA3ADORA2AADORA2B
SCHEMBL15081189 0.89 ALDH1A1 (0.36) ALDH1A1ADORA3TAS1R3TAS1R1TAS1R2
SCHEMBL3836713 0.88 ALDH1A1 (0.38) ALDH1A1KDM4EHSD17B10ADORA3TAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2797933-B1 METHODS OF FORMING 4-CHLORO-2-FLUORO-3-SUBSTITUTED-PHENYLBORONIC ACID PINACOL ESTERS AND METHODS OF USING THE SAME DOW AGROSCIENCES LLC (US) 2017-08-16 EP claimed
EP-2797932-B1 METHODS OF ISOLATING (4-CHLORO-2-FLUORO-3-SUBSTITUTED-PHENYL) BORONATES AND METHODS OF USING THE SAME DOW AGROSCIENCES LLC (US) 2017-02-01 EP claimed
EP-2797890-B1 METHODS OF PRODUCING METHYL 4-AMINO-3-CHLORO-6-(4-CHLORO-2-FLUORO-3-METHOXYPHENYL)PYRIDINE-2-CARBOXYLATE DOW AGROSCIENCES LLC (US) 2016-10-05 EP claimed
EP-2797890-A1 METHODS OF PRODUCING METHYL 4-AMINO-3-CHLORO-6-(4-CHLORO-2-FLUORO-3-METHOXYPHENYL)PYRIDINE-2-CARBOXYLATE Dow AgroSciences LLC (US) 2014-11-05 EP claimed
EP-2797933-A1 METHODS OF FORMING 4-CHLORO-2-FLUORO-3-SUBSTITUTED-PHENYLBORONIC ACID PINACOL ESTERS AND METHODS OF USING THE SAME Dow AgroSciences LLC (US) 2014-11-05 EP claimed
WO-2013102078-A1 METHODS OF PRODUCING METHYL 4-AMINO-3-CHLORO-6-(4-CHLORO-2-FLUORO-3-METHOXYPHENYL)PYRIDINE-2-CARBOXYLATE DOW AGROSCIENCES LLC (US) 2013-07-04 WO claimed
WO-2013101665-A1 METHODS OF FORMING 4-CHLORO-2-FLUORO-3-SUBSTITUTED-PHENYLBORONIC ACID PINACOL ESTERS AND METHODS OF USING THE SAME DOW AGROSCIENCES LLC (US) 2013-07-04 WO claimed
EP-2797890-A1 METHODS OF PRODUCING METHYL 4-AMINO-3-CHLORO-6-(4-CHLORO-2-FLUORO-3-METHOXYPHENYL)PYRIDINE-2-CARBOXYLATE Dow AgroSciences LLC (US) 2014-11-05 EP disclosed
EP-2797890-A1 METHODS OF PRODUCING METHYL 4-AMINO-3-CHLORO-6-(4-CHLORO-2-FLUORO-3-METHOXYPHENYL)PYRIDINE-2-CARBOXYLATE Dow AgroSciences LLC (US) 2014-11-05 EP disclosed
EP-2634175-A1 Substituted 4-amino-picolinic acids and their use as herbicides Dow AgroSciences LLC (US) 2013-09-04 EP disclosed
EP-2327694-B1 Substituted 4-amino-picolinic acids and their use as herbicides DOW AGROSCIENCES LLC (US) 2013-07-24 EP disclosed
WO-2013102078-A1 METHODS OF PRODUCING METHYL 4-AMINO-3-CHLORO-6-(4-CHLORO-2-FLUORO-3-METHOXYPHENYL)PYRIDINE-2-CARBOXYLATE DOW AGROSCIENCES LLC (US) 2013-07-04 WO disclosed
WO-2013102078-A1 METHODS OF PRODUCING METHYL 4-AMINO-3-CHLORO-6-(4-CHLORO-2-FLUORO-3-METHOXYPHENYL)PYRIDINE-2-CARBOXYLATE DOW AGROSCIENCES LLC (US) 2013-07-04 WO disclosed
EP-2332914-B1 Substituted 4-amino-picolinic acids and their use as herbicides DOW AGROSCIENCES LLC (US) 2013-03-13 EP disclosed
EP-2327695-B1 Substituted 4-amino-picolinic acids and their use as herbicides DOW AGROSCIENCES LLC (US) 2012-07-18 EP disclosed
EP-2332914-A1 Substituted 4-amino-picolinic acids and their use as herbicides Dow AgroSciences LLC (US) 2011-06-15 EP disclosed
EP-2327695-A1 Substituted 4-amino-picolinic acids and their use as herbicides Dow AgroSciences LLC (US) 2011-06-01 EP disclosed
EP-2327694-A1 Substituted 4-amino-picolinic acids and their use as herbicides Dow AgroSciences LLC (US) 2011-06-01 EP disclosed