SCHEMBL7051675

SCHEMBL7051675

CC(C)NC(=O)c1cc(N(C)Cc2ccccc2)cc(Oc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
SCN9A Q15858 3/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PTGES O14684 4/20 0.45
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.42
CACNA1B Q00975 1/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
CASR P41180 1/20 0.41
MAPK14 Q16539 1/20 0.41

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
SCHEMBL7054903 0.89 KCNH2 (0.51) MAPTKDM4EALDH1A1GAA
SCHEMBL7052911 0.89 MAPT (0.51) MAPTSCN9AKDM4EALDH1A1GAA
SCHEMBL7053825 0.87 MAPT (0.55) MAPTSCN9AKDM4EALDH1A1NPSR1
SCHEMBL7110634 0.80 ALDH1A1 (0.45) MAPTKDM4EALDH1A1NPSR1CACNA1B
SCHEMBL7050555 0.79 MAPT (0.57) MAPTKDM4EALDH1A1NPSR1GAA
SCHEMBL7051091 0.79 MAPT (0.60) MAPTKDM4EALDH1A1NPSR1GAA
SCHEMBL7052329 0.78 MAPT (0.72) MAPTSCN9AKDM4EALDH1A1NPSR1
SCHEMBL8072760 0.78 MAPT (0.56) MAPTSCN9AKDM4EALDH1A1NPSR1
SCHEMBL8070239 0.78 MAPT (0.49) MAPTKDM4EALDH1A1GAAPPARG
SCHEMBL7051149 0.78 MAPT (0.53) MAPTKDM4EALDH1A1NPSR1GAA

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