SCHEMBL21140925

SCHEMBL21140925

CCN(CC)c1ccc(/N=N/c2sc3cc(OC)ccc3[n+]2C)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 6/20 0.77
GSK3B P49841 2/20 0.43
MAPT P10636 8/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
APP P05067 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 3/20 0.41
APOBEC3A P31941 1/20 0.40
NSD2 O96028 1/20 0.40
S100A4 P26447 1/20 0.40
NOD2 Q9HC29 1/20 0.40
SNCA P37840 1/20 0.37
ACHE P22303 2/20 0.36
BCHE P06276 1/20 0.36
KDM4E B2RXH2 5/20 0.36
TDP1 Q9NUW8 3/20 0.36
LMNA P02545 2/20 0.36

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
SCHEMBL5772477 0.92 INSR (0.69) INSRGSK3BMAPTMEN1KMT2A
SCHEMBL5772480 0.92 INSR (0.69) INSRGSK3BMAPTMEN1KMT2A
SCHEMBL4860689 0.90 INSR (0.66) INSRGSK3BMAPTMEN1KMT2A
SCHEMBL4860682 0.90 INSR (0.66) INSRGSK3BMAPTMEN1KMT2A
SCHEMBL6033699 0.89 INSR (0.65) INSRGSK3BMAPTMEN1KMT2A
SCHEMBL6033696 0.89 INSR (0.65) INSRGSK3BMAPTMEN1KMT2A
SCHEMBL29414452 0.87 INSR (1.00) INSRGSK3BMAPTMEN1KMT2A
SCHEMBL6911483 0.87 INSR (1.00) INSRGSK3BMAPTMEN1KMT2A
SCHEMBL13324480 0.87 INSR (1.00) INSRGSK3BMAPTMEN1KMT2A
SCHEMBL17858559 0.86 INSR (0.70) INSRGSK3BMAPTMEN1KMT2A

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
EP-2393849-B1 COLOURED PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2019-06-19 EP disclosed