SCHEMBL9938760

SCHEMBL9938760

Nc1cc(Cl)ccc1-c1nc(OC(=O)O)c(Cl)c(N)c1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.34
CNR2 P34972 1/20 0.34
GRM2 Q14416 1/20 0.34
KMO O15229 2/20 0.33
ABL1 P00519 1/20 0.33
CYP3A4 P08684 1/20 0.33
ACHE P22303 1/20 0.33
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GCK P35557 1/20 0.31
DHODH Q02127 1/20 0.30
GRM5 P41594 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2469859 0.90 CNR1 (0.43) CNR1CNR2
SCHEMBL2466316 0.90 GRM2 (0.41) CNR1CNR2GRM2KMOACHE
SCHEMBL2465873 0.83 DHODH (0.37) CNR1CNR2KMOKMT2AALDH1A1
SCHEMBL2464682 0.81 GRM2 (0.42) CNR1CNR2GRM2KMOACHE
SCHEMBL2465710 0.81 CNR1 (0.43) CNR1CNR2
SCHEMBL9938756 0.81 TDP1 (0.42) GRM2KMOABL1CYP3A4ALDH1A1
SCHEMBL2471058 0.79 ALDH1A1 (0.37) KMOALDH1A1HSD17B10
SCHEMBL2469147 0.78 DHODH (0.38) ALDH1A1HPGDDHODHMAPK1
SCHEMBL9937769 0.77 ABL1 (0.47) CNR1ABL1ALDH1A1HPGDL3MBTL1
SCHEMBL9938973 0.77 CYP3A4 (0.40) KMOABL1CYP3A4ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2665710-A1 6-(2-AMINOPHENYL)PICOLINATES AND THEIR USE AS HERBICIDES Bayer Intellectual Property GmbH (DE) 2013-11-27 EP disclosed
WO-2012080187-A1 6-(2-AMINOPHENYL)PICOLINATES AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2012-06-21 WO disclosed