SCHEMBL8657705

SCHEMBL8657705

O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Oc2ccc(Sc3ccc(C(F)(F)F)cc3Cl)c(Cl)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 12/20 0.60
TLR7 Q9NYK1 5/20 0.60
IL2 P60568 1/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.50
RAF1 P04049 2/20 0.45
KDR P35968 2/20 0.45
MAPK14 Q16539 2/20 0.45
TNNI3K Q59H18 2/20 0.45
BRAF P15056 1/20 0.45
PLK4 O00444 1/20 0.44
AURKA O14965 1/20 0.44
MAPK13 O15264 1/20 0.44
JAK2 O60674 1/20 0.44
MAP4K4 O95819 1/20 0.44
ABL1 P00519 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 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
SCHEMBL8658884 0.91 TLR8 (0.58) TLR8TLR7IL2ALDH1A1
SCHEMBL8656261 0.90 TLR8 (0.49) TLR8TLR7KDM4ENPC1ALDH1A1
SCHEMBL8621586 0.88 IL2 (0.54) TLR8TLR7IL2KDM4ENPC1
SCHEMBL8662619 0.86 TLR8 (0.59) TLR8TLR7IL2KDM4ENPC1
SCHEMBL8657704 0.86 TLR8 (0.48) TLR8TLR7IL2KDM4ENPC1
SCHEMBL8662540 0.86 TDP1 (0.59) TLR8TLR7NPC1ALDH1A1MAPK1
SCHEMBL8657144 0.85 TLR8 (0.59) TLR8TLR7IL2KDM4ENPC1
SCHEMBL9324671 0.84 TLR8 (0.57) TLR8TLR7IL2KDM4ENPC1
SCHEMBL9743573 0.82 MEN1 (0.54) TLR8TLR7IL2ALDH1A1KDR
SCHEMBL8662609 0.79 TLR8 (0.54) TLR8TLR7IL2KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5776981-A Use of acyl urea compounds for controlling endoparasites and ectoparasites of warm-blooded animals NOVARTIS CORPORATION (US) 1998-07-07 US disclosed
US-5776982-A Use of acyl urea compounds for controlling endoparasites and ectoparasites of warm-blooded animals NOVARTIS CORPORATION (US) 1998-07-07 US disclosed