SCHEMBL7055040

SCHEMBL7055040

CCCNC(=O)c1cc(OC)cc(Oc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
ALDH1A1 P00352 2/20 0.52
POLB P06746 2/20 0.52
GAA P10253 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
KDM4E B2RXH2 2/20 0.45
SCN9A Q15858 5/20 0.44
SCN10A Q9Y5Y9 1/20 0.44
NTRK1 P04629 1/20 0.43
RAB9A P51151 2/20 0.43
GPR52 Q9Y2T5 1/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
P2RY1 P47900 1/20 0.41
BRAF P15056 1/20 0.41
KDR P35968 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
SCHEMBL7053455 0.91 MAPT (0.56) MAPTALDH1A1POLBGAAL3MBTL1
SCHEMBL7052765 0.89 MAPT (0.53) MAPTALDH1A1POLBGAAL3MBTL1
SCHEMBL7051733 0.89 MAPT (0.53) MAPTALDH1A1POLBGAAL3MBTL1
SCHEMBL7052982 0.88 MAPT (0.55) MAPTALDH1A1POLBGAAL3MBTL1
SCHEMBL7053500 0.88 MAPT (0.55) MAPTALDH1A1POLBGAAL3MBTL1
SCHEMBL7054885 0.88 MAPT (0.51) MAPTALDH1A1POLBGAAL3MBTL1
SCHEMBL7049538 0.88 MAPT (0.54) MAPTALDH1A1POLBGAAL3MBTL1
SCHEMBL7054493 0.87 MAPT (0.68) MAPTALDH1A1POLBGAAL3MBTL1
SCHEMBL8070245 0.87 MAPT (0.61) MAPTALDH1A1POLBGAAL3MBTL1
SCHEMBL7118336 0.87 MAPT (0.56) MAPTALDH1A1POLBGAAL3MBTL1

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