SCHEMBL19993337

SCHEMBL19993337

N#Cc1cc(I)c(-c2ccc(Cc3ccc(-c4c(I)cc(C#N)cc4I)cc3I)c(I)c2)c(I)c1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.41
ALB P02768 1/20 0.41
MMP3 P08254 1/20 0.33

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
SCHEMBL19993383 0.82 MMP3 (0.48) MMP3
SCHEMBL19993446 0.80 MMP3 (0.35) TTRALBMMP3
SCHEMBL19993387 0.79 TTR (0.44) TTRALBMMP3
SCHEMBL19993466 0.77 TTR (0.45) TTRALB
SCHEMBL19993397 0.77
SCHEMBL19993464 0.75 TTR (0.40) TTRALB
SCHEMBL22621254 0.73 TTR (0.43) TTRALB
SCHEMBL19993386 0.71 LOXL2 (0.41) TTRALBMMP3
SCHEMBL31757842 0.69 MMP3 (0.46) MMP3
SCHEMBL19993444 0.69 AR (0.33)

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
WO-2018050573-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DEVICE MERCK PATENT GMBH (DE) 2018-03-22 WO disclosed