SCHEMBL7053825

SCHEMBL7053825

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
NPSR1 Q6W5P4 2/20 0.49
P2RY1 P47900 1/20 0.45
SCN9A Q15858 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 2/20 0.43
GAA P10253 3/20 0.43
MAPK1 P28482 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 1/20 0.41
PDE2A O00408 1/20 0.40
PTGER4 P35408 2/20 0.40
BRAF P15056 1/20 0.40
KDR P35968 1/20 0.40
MAPK14 Q16539 1/20 0.40
TNNI3K Q59H18 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL8072760 0.88 MAPT (0.56) MAPTNPSR1P2RY1SCN9ARAB9A
SCHEMBL7051675 0.87 MAPT (0.48) MAPTNPSR1SCN9ACYP1A2CYP2C19
SCHEMBL7107323 0.86 MAPT (0.58) MAPTP2RY1CYP1A2CYP2C19RAB9A
SCHEMBL7051149 0.86 MAPT (0.53) MAPTNPSR1P2RY1RAB9AGAA
SCHEMBL7050555 0.85 MAPT (0.57) MAPTNPSR1CYP1A2CYP2C19RAB9A
SCHEMBL7051091 0.85 MAPT (0.60) MAPTNPSR1P2RY1CYP1A2CYP2C19
SCHEMBL7052329 0.85 MAPT (0.72) MAPTNPSR1SCN9ACYP1A2CYP2C19
SCHEMBL7053407 0.83 MAPT (0.55) MAPTNPSR1SCN9ACYP1A2CYP2C19
SCHEMBL29607569 0.82 MAPT (0.52) MAPTNPSR1P2RY1CYP1A2CYP2C19
SCHEMBL7048543 0.76 MAPT (0.57) MAPTNPSR1P2RY1RAB9AGAA

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