SCHEMBL19993339

SCHEMBL19993339

N#Cc1ccc(-c2ccc(Cc3ccc(-c4ccc(C#N)c(I)c4I)c(I)c3)cc2I)c(I)c1I

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.31
MAOB P27338 3/20 0.30
MAOA P21397 2/20 0.30
TRPV4 Q9HBA0 1/20 0.30

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
SCHEMBL19993467 0.83 MAOB (0.30) MAOBTRPV4
SCHEMBL19993384 0.79 CYP19A1 (0.33) SNCALOXL2
SCHEMBL22621129 0.75 DYRK1A (0.30)
SCHEMBL19993390 0.74 CYP17A1 (0.32)
SCHEMBL22621241 0.73
SCHEMBL19993382 0.71 LOXL2 (0.43) LOXL2
SCHEMBL19993336 0.71
SCHEMBL15393729 0.69 MAOB (0.47) SNCALOXL2MAOBMAOATRPV4
SCHEMBL19993380 0.67 RXRA (0.40) SNCA
SCHEMBL22621190 0.67 GPR3 (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512920-B1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DEVICE MERCK PATENT GMBH (DE) 2020-11-04 EP disclosed
WO-2018050573-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DEVICE MERCK PATENT GMBH (DE) 2018-03-22 WO disclosed