SCHEMBL7053830

SCHEMBL7053830

CCN(CC)C(=O)c1cc(OC)cc(Oc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
KDM4E B2RXH2 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 2/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SCN9A Q15858 4/20 0.44
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
NTRK1 P04629 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
P2RY1 P47900 1/20 0.41
RAB9A P51151 1/20 0.40
SLC2A1 P11166 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 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
SCHEMBL7049881 0.84 MAPT (0.63) MAPTKDM4EL3MBTL1GAAMAPK1
SCHEMBL7050087 0.84 MAPT (0.58) MAPTKDM4EL3MBTL1GAAMAPK1
SCHEMBL7053409 0.83 MAPT (0.62) MAPTKDM4EL3MBTL1GAAMAPK1
SCHEMBL8070245 0.83 MAPT (0.61) MAPTKDM4EL3MBTL1GAAMAPK1
SCHEMBL7053854 0.81 MAPT (0.63) MAPTKDM4EL3MBTL1GAAMAPK1
SCHEMBL7055040 0.81 MAPT (0.57) MAPTKDM4EL3MBTL1GAAMAPK1
SCHEMBL7050084 0.81 MAPT (0.62) MAPTKDM4EL3MBTL1GAAMAPK1
SCHEMBL7053451 0.81 MAPT (0.61) MAPTKDM4EL3MBTL1GAAMAPK1
SCHEMBL8773209 0.80 MAPT (0.58) MAPTKDM4EL3MBTL1GAAMAPK1
SCHEMBL7052982 0.80 MAPT (0.55) MAPTKDM4EL3MBTL1GAAMAPK1

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-0882715-B1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA CHEMICAL IND CO LTD (JP) 2003-04-23 EP disclosed
US-6339045-B1 CAN BE USED IN A SMALL AMOUNT, SHOWING A GOOD SELECTIVITY BETWEEN CROP AND WEED, AND CAUSING NO PHYTOTOXICITY KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2002-01-15 US disclosed
EP-0882715-A1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-12-09 EP disclosed