SCHEMBL8096765

SCHEMBL8096765

CC(C)S(=O)(=O)n1c(N)nc2ccc(/C(=C\S(C)(=O)=O)c3cccc(F)c3F)cc21

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 1/20 0.53
MAPK14 Q16539 19/20 0.47
CYP3A4 P08684 8/20 0.47

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
SCHEMBL8096767 1.00 PI4KB (0.53) PI4KBMAPK14CYP3A4
SCHEMBL8097053 0.89 PI4KB (0.54) PI4KBMAPK14CYP3A4
SCHEMBL8104029 0.89 PI4KB (0.52) PI4KBMAPK14CYP3A4
SCHEMBL8097051 0.89 PI4KB (0.54) PI4KBMAPK14CYP3A4
SCHEMBL8104026 0.89 PI4KB (0.52) PI4KBMAPK14CYP3A4
SCHEMBL7738297 0.86 PI4KB (0.57) PI4KBMAPK14CYP3A4
SCHEMBL8096786 0.84 PI4KB (0.54) PI4KBMAPK14CYP3A4
SCHEMBL8096783 0.84 PI4KB (0.54) PI4KBMAPK14CYP3A4
SCHEMBL8103358 0.78 PI4KB (0.58) PI4KBMAPK14CYP3A4
SCHEMBL8101150 0.78 PI4KB (0.58) PI4KBMAPK14CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6114327-A Anti-viral compounds ELI LILLY AND COMPANY (US) 2000-09-05 US disclosed