SCHEMBL7053781

SCHEMBL7053781

COc1cc(Oc2cccc(C(F)(F)F)c2)nc(C(=S)Nc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
GAA P10253 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
ALDH1A1 P00352 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
MAPK1 P28482 1/20 0.47
NTRK1 P04629 2/20 0.46
P2RY1 P47900 2/20 0.45
KDR P35968 2/20 0.44
MAPK14 Q16539 2/20 0.44
TNNI3K Q59H18 2/20 0.44
BRAF P15056 1/20 0.42
APP P05067 1/20 0.41
RAB9A P51151 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 1/20 0.41
CYP3A4 P08684 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
SCHEMBL7052802 0.88 MAPT (0.58) MAPTGAATDP1L3MBTL1MAPK1
SCHEMBL7049538 0.82 MAPT (0.54) MAPTGAATDP1ALDH1A1L3MBTL1
SCHEMBL7052724 0.82 MAPT (0.56) MAPTGAATDP1ALDH1A1L3MBTL1
SCHEMBL8773209 0.82 MAPT (0.58) MAPTGAATDP1ALDH1A1L3MBTL1
SCHEMBL7049881 0.81 MAPT (0.63) MAPTGAATDP1ALDH1A1L3MBTL1
SCHEMBL7609878 0.81 MAPT (0.60) MAPTGAATDP1ALDH1A1L3MBTL1
SCHEMBL7609940 0.80 MAPT (0.58) MAPTGAATDP1ALDH1A1L3MBTL1
SCHEMBL7053854 0.78 MAPT (0.63) MAPTGAATDP1ALDH1A1L3MBTL1
SCHEMBL7053409 0.78 MAPT (0.62) MAPTGAATDP1ALDH1A1L3MBTL1
SCHEMBL7690178 0.78 MAPT (0.56) MAPTGAATDP1ALDH1A1L3MBTL1

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