SCHEMBL7053854

SCHEMBL7053854

COc1cc(Oc2cccc(C(F)(F)F)c2)nc(C(=O)NO)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.63
GAA P10253 3/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
MAPK1 P28482 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
NTRK1 P04629 2/20 0.46
RAB9A P51151 1/20 0.46
P2RY1 P47900 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
POLB P06746 2/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 3/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDR P35968 1/20 0.42
MAPK14 Q16539 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
SCHEMBL8070245 0.90 MAPT (0.61) MAPTGAAL3MBTL1MAPK1TDP1
SCHEMBL7053451 0.90 MAPT (0.61) MAPTGAAL3MBTL1MAPK1TDP1
SCHEMBL7051091 0.89 MAPT (0.60) MAPTGAAL3MBTL1MAPK1TDP1
SCHEMBL7050084 0.88 MAPT (0.62) MAPTGAAL3MBTL1MAPK1TDP1
SCHEMBL7049881 0.87 MAPT (0.63) MAPTGAAL3MBTL1MAPK1TDP1
SCHEMBL7052802 0.87 MAPT (0.58) MAPTGAAL3MBTL1MAPK1TDP1
SCHEMBL7052488 0.86 MAPT (0.57) MAPTGAAL3MBTL1MAPK1TDP1
SCHEMBL7048543 0.86 MAPT (0.57) MAPTGAAL3MBTL1MAPK1TDP1
SCHEMBL7055040 0.86 MAPT (0.57) MAPTGAAL3MBTL1MAPK1TDP1
SCHEMBL7053409 0.86 MAPT (0.62) MAPTGAAL3MBTL1MAPK1TDP1

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