SCHEMBL7571558

SCHEMBL7571558

O=C=Nc1ccc(OC(F)(F)C(F)OC(F)(F)F)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SLC1A5 Q15758 2/20 0.38
TRPA1 O75762 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL11336774 0.88 TDP1 (0.51) MAPK1TDP1SLC1A5TRPA1CYP3A4
SCHEMBL10745186 0.85 MAPK1 (0.49) MAPK1TDP1SLC1A5TRPA1CYP3A4
SCHEMBL1555311 0.83 MAPK1 (0.56) MAPK1TDP1SLC1A5TRPA1CYP3A4
SCHEMBL11472958 0.82 TDP1 (0.45) MAPK1TDP1SLC1A5TRPA1CYP3A4
SCHEMBL9859275 0.79 MAPK1 (0.54) MAPK1TDP1SLC1A5TRPA1CYP3A4
SCHEMBL11082120 0.79 MAPK1 (0.54) MAPK1TDP1SLC1A5TRPA1CYP3A4
SCHEMBL11334967 0.77 MAPK1 (0.51) MAPK1TDP1SLC1A5TRPA1CYP3A4
SCHEMBL7575949 0.75 CYP3A4 (0.36) SLC1A5CYP3A4
SCHEMBL29873432 0.75 TDP1 (0.56) MAPK1TDP1TRPA1CYP3A4
SCHEMBL1879413 0.75 TDP1 (0.56) MAPK1TDP1TRPA1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944321-B1 COMPOSITIONS FOR THE SYSTEMIC CONTROL OF PARASITES OF WARM-BLOODED ANIMALS ISAGRO SPA (IT) 2002-09-18 EP disclosed
US-6136836-A A 1-(3-CHLORO-4-(1,1,2-TRIFLUORO-2-FLUOROMETHOXYETHOXY)PHENYL-3-(2,6-DIFLUOROBENZOYL)UREA ISAGRO S.P.A. (IT) 2000-10-24 US disclosed
EP-0944321-A1 COMPOSITIONS FOR THE SYSTEMIC CONTROL OF PARASITES OF WARM-BLOODED ANIMALS ISAGRO S.p.A. (IT) 1999-09-29 EP disclosed
WO-1998025466-A1 COMPOSITIONS FOR THE SYSTEMIC CONTROL OF PARASITES OF WARM-BLOODED ANIMALS ISAGRO S.P.A. (IT) 1998-06-18 WO disclosed