SCHEMBL7054493

SCHEMBL7054493

CCCNC(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.68
ALDH1A1 P00352 2/20 0.56
POLB P06746 2/20 0.56
KDM4E B2RXH2 1/20 0.48
GPR52 Q9Y2T5 1/20 0.47
SCN9A Q15858 10/20 0.46
SCN10A Q9Y5Y9 1/20 0.46
BRAF P15056 1/20 0.46
KDR P35968 1/20 0.46
MAPK14 Q16539 1/20 0.46
TNNI3K Q59H18 1/20 0.46
RAB9A P51151 1/20 0.45
GAA P10253 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SCN7A Q01118 1/20 0.44
KCNH2 Q12809 1/20 0.44
SCN5A Q14524 1/20 0.44

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
SCHEMBL7532406 0.94 MAPT (0.65) MAPTALDH1A1POLBKDM4EGPR52
SCHEMBL7055040 0.87 MAPT (0.57) MAPTALDH1A1POLBKDM4EGPR52
SCHEMBL7049877 0.87 MAPT (0.61) MAPTALDH1A1POLBKDM4ESCN9A
SCHEMBL8065139 0.85 MAPT (0.72) MAPTALDH1A1POLBKDM4EKDR
SCHEMBL3841693 0.85 MAPT (0.75) MAPTALDH1A1POLBKDM4EBRAF
SCHEMBL7052329 0.83 MAPT (0.72) MAPTALDH1A1POLBKDM4ESCN9A
SCHEMBL8573524 0.82 MAPT (0.71) MAPTALDH1A1POLBKDM4EBRAF
SCHEMBL7528425 0.81 MAPT (1.00) MAPTALDH1A1POLBKDM4ESCN9A
SCHEMBL7953536 0.81 MAPT (0.69) MAPTALDH1A1KDM4EKDRRAB9A
SCHEMBL7532057 0.81 MAPT (0.59) MAPTALDH1A1POLBKDM4EBRAF

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4290805-A None JP disclosed
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
EP-0488474-B1 Herbicidal carboxamide derivatives BASF AG (DE) 2002-04-17 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
US-5384305-A Plant growth regulators SHELL RESEARCH LIMITED (GB) 1995-01-24 US disclosed
JP-H04290805-A HERBICIDAL CARBOXAMIDE DERIVATIVE SHELL INTERNATL RES MAATSCHAPPIJ BV 1992-10-15 JP disclosed
EP-0488474-A1 Herbicidal carboxamide derivatives SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1992-06-03 EP disclosed