SCHEMBL7052329

SCHEMBL7052329

CC(C)NC(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.72
NPSR1 Q6W5P4 2/20 0.55
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
GAA P10253 3/20 0.47
RAB9A P51151 2/20 0.47
SCN9A Q15858 2/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
CNR2 P34972 2/20 0.47
MAPK1 P28482 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
CNR1 P21554 1/20 0.47
KDM4E B2RXH2 3/20 0.45
BRAF P15056 1/20 0.45
KDR P35968 1/20 0.45
MAPK14 Q16539 1/20 0.45
TNNI3K Q59H18 1/20 0.45
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
PTGER4 P35408 2/20 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
SCHEMBL3841693 0.88 MAPT (0.75) MAPTNPSR1GAARAB9AL3MBTL1
SCHEMBL7050555 0.86 MAPT (0.57) MAPTNPSR1CYP1A2CYP2C19GAA
SCHEMBL7051091 0.86 MAPT (0.60) MAPTNPSR1CYP1A2CYP2C19GAA
SCHEMBL8065139 0.85 MAPT (0.72) MAPTNPSR1GAARAB9AL3MBTL1
SCHEMBL8573524 0.85 MAPT (0.71) MAPTNPSR1CYP1A2CYP2C19GAA
SCHEMBL7053825 0.85 MAPT (0.55) MAPTNPSR1CYP1A2CYP2C19GAA
SCHEMBL7053407 0.85 MAPT (0.55) MAPTNPSR1CYP1A2CYP2C19GAA
SCHEMBL7528425 0.84 MAPT (1.00) MAPTNPSR1CYP1A2CYP2C19GAA
SCHEMBL7953536 0.83 MAPT (0.69) MAPTNPSR1GAARAB9AL3MBTL1
SCHEMBL6422722 0.83 MAPT (0.76) MAPTNPSR1CYP1A2CYP2C19GAA

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