SCHEMBL7052488

SCHEMBL7052488

COc1cc(Oc2cccc(C(F)(F)F)c2)nc(C(=O)NC2CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
FAAH O00519 6/20 0.46
SCN9A Q15858 8/20 0.46
SCN7A Q01118 1/20 0.46
KCNH2 Q12809 1/20 0.46
SCN5A Q14524 1/20 0.46
RAB9A P51151 2/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL7053854 0.86 MAPT (0.63) MAPTGAAMAPK1TDP1L3MBTL1
SCHEMBL8070245 0.85 MAPT (0.61) MAPTGAAMAPK1TDP1L3MBTL1
SCHEMBL7053451 0.85 MAPT (0.61) MAPTGAAMAPK1TDP1L3MBTL1
SCHEMBL7051091 0.84 MAPT (0.60) MAPTGAAMAPK1TDP1L3MBTL1
SCHEMBL7055040 0.84 MAPT (0.57) MAPTGAAMAPK1TDP1L3MBTL1
SCHEMBL8725913 0.83 MAPT (0.54) MAPTFAAHSCN9ASCN7AKCNH2
SCHEMBL7050084 0.83 MAPT (0.62) MAPTGAAMAPK1TDP1L3MBTL1
SCHEMBL7053455 0.83 MAPT (0.56) MAPTGAAMAPK1TDP1L3MBTL1
SCHEMBL7049881 0.82 MAPT (0.63) MAPTGAAMAPK1TDP1L3MBTL1
SCHEMBL7052802 0.82 MAPT (0.58) MAPTGAAMAPK1TDP1L3MBTL1

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