SCHEMBL7054885

SCHEMBL7054885

CC[S+]([O-])CCNC(=O)c1cc(OC)cc(Oc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
GAA P10253 2/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 2/20 0.41
SCN9A Q15858 7/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
NTRK1 P04629 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GPR52 Q9Y2T5 1/20 0.39
RAB9A P51151 1/20 0.39
P2RY1 P47900 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL7055040 0.88 MAPT (0.57) MAPTGAAMAPK1TDP1L3MBTL1
SCHEMBL7053455 0.85 MAPT (0.56) MAPTGAAMAPK1TDP1L3MBTL1
SCHEMBL7051733 0.84 MAPT (0.53) MAPTGAAMAPK1TDP1L3MBTL1
SCHEMBL7052765 0.84 MAPT (0.53) MAPTGAAMAPK1TDP1L3MBTL1
SCHEMBL7052982 0.82 MAPT (0.55) MAPTGAAMAPK1TDP1L3MBTL1
SCHEMBL7053500 0.82 MAPT (0.55) MAPTGAAMAPK1TDP1L3MBTL1
SCHEMBL8070245 0.82 MAPT (0.61) MAPTGAAMAPK1TDP1L3MBTL1
SCHEMBL7118336 0.81 MAPT (0.56) MAPTGAAMAPK1TDP1L3MBTL1
SCHEMBL7055050 0.81 MAPT (0.52) MAPTGAAMAPK1TDP1L3MBTL1
SCHEMBL7053854 0.81 MAPT (0.63) 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 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