SCHEMBL4023504

SCHEMBL4023504

COc1ccc(CSc2c(N3CCCCC3)ccnc2C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)c3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
MAPT P10636 3/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
P2RY1 P47900 1/20 0.46
PDGFRB P09619 1/20 0.44
KDR P35968 2/20 0.44
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PLK4 O00444 1/20 0.42
AURKA O14965 1/20 0.42
MAPK13 O15264 1/20 0.42
JAK2 O60674 1/20 0.42

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
SCHEMBL4027172 0.99 GAA (0.47) GAAL3MBTL1MAPTHPGDHTT
SCHEMBL4031550 0.86 TP53 (0.49) GAAL3MBTL1MAPTLMNAALDH1A1
SCHEMBL2237399 0.85 TLR8 (0.51) GAAL3MBTL1MAPTHPGDHTT
SCHEMBL4022786 0.82 PDGFRB (0.51) GAAMAPTP2RY1PDGFRBKDR
SCHEMBL2237930 0.81 P2RY1 (0.48) GAAL3MBTL1MAPTHPGDHTT
SCHEMBL4024155 0.78 TP53 (0.42) GAAMAPTHPGDHTTTDP1
SCHEMBL4023792 0.78 GAA (0.44) GAAMAPTNPSR1MAPK1LMNA
SCHEMBL4024543 0.77 ALK (0.43) GAAL3MBTL1MAPTHPGDLMNA
SCHEMBL4023413 0.74 LMNA (0.41) GAAL3MBTL1MAPTHPGDHTT
SCHEMBL5583862 0.73 KDR (0.55) GAAL3MBTL1MAPTP2RY1KDR

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-1404666-B1 4-SUBSTITUTED-PICOLINIC ACID AMIDE DERIVATIVES USEFUL AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2009-05-27 EP claimed
EP-1404666-B1 4-SUBSTITUTED-PICOLINIC ACID AMIDE DERIVATIVES USEFUL AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2009-05-27 EP disclosed