SCHEMBL4652907

SCHEMBL4652907

COc1ccccc1C(F)(F)Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA12 O43570 1/20 0.50
CA4 P22748 1/20 0.50
CA14 Q9ULX7 1/20 0.50
ALDH1A1 P00352 4/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
ADRA2B P18089 1/20 0.41
PTGS1 P23219 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ATM Q13315 1/20 0.40
MAOB P27338 1/20 0.40
GAA P10253 2/20 0.39
ENPP2 Q13822 1/20 0.39

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
SCHEMBL2445298 0.82 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL4187893 0.82 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL255270 0.82 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL28228661 0.82 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL30093322 0.82 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL10916980 0.80 HSD11B1 (0.33)
SCHEMBL10922102 0.80 HSD11B1 (0.33)
SCHEMBL18543499 0.78 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL14191201 0.78 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL5901140 0.78 CA1 (0.50) CA1CA2CA7CA9CA12

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
CN-102731381-B The polysubstituted aryl of 6-()-4-aminopyridine formic acid esters and the purposes as herbicide thereof 美国陶氏益农公司 2016-08-17 CN disclosed
EP-1973881-A2 6-(POLY-SUBSTITUTED ARYL)-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES Dow Agrosciences LLC (US) 2008-10-01 EP disclosed
WO-2007082098-A2 6-(POLY-SUBSTITUTED ARYL)-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2007-07-19 WO disclosed