SCHEMBL7052802

SCHEMBL7052802

COc1cc(Oc2cccc(C(F)(F)F)c2)nc(C(=O)Nc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
GAA P10253 2/20 0.56
MAPK1 P28482 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
NTRK1 P04629 2/20 0.50
KDM4E B2RXH2 2/20 0.50
POLB P06746 1/20 0.50
HTT P42858 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
P2RY1 P47900 2/20 0.49
LMNA P02545 1/20 0.49
LOX P28300 2/20 0.48
LOXL2 Q9Y4K0 2/20 0.48
KDR P35968 1/20 0.48
MAPK14 Q16539 1/20 0.48
TNNI3K Q59H18 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48

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
SCHEMBL7690178 0.91 MAPT (0.56) MAPTGAAMAPK1TDP1L3MBTL1
SCHEMBL7052724 0.90 MAPT (0.56) MAPTGAAMAPK1TDP1L3MBTL1
SCHEMBL7053781 0.88 MAPT (0.55) MAPTGAAMAPK1TDP1L3MBTL1
SCHEMBL7048317 0.88 NPC1 (0.51) MAPTGAAKDM4EHTTNPC1
SCHEMBL20894934 0.87 GAA (0.57) MAPTGAAMAPK1TDP1L3MBTL1
SCHEMBL7053854 0.87 MAPT (0.63) MAPTGAAMAPK1TDP1L3MBTL1
SCHEMBL7053451 0.86 MAPT (0.61) MAPTGAAMAPK1TDP1L3MBTL1
SCHEMBL8070245 0.86 MAPT (0.61) MAPTGAAMAPK1TDP1L3MBTL1
SCHEMBL7612444 0.86 MAPT (0.67) MAPTGAAMAPK1TDP1L3MBTL1
SCHEMBL7051149 0.86 MAPT (0.53) 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 5 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
US-6005112-A REACTING SUBSTITUTED OR UNSUBSTITUTED PYRIDINE METAL COMPOUND WITH SUBSTITUTED ISOCYANATE OR ISOTHIOCYANATE KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1999-12-21 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
EP-0881217-A1 PROCESS FOR PRODUCING PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-12-02 EP disclosed