SCHEMBL626835

SCHEMBL626835

CCCCc1cc(C#N)c(N=Nc2ccc(N(CCO)CCO)cc2NC(C)=O)c(C#N)c1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
MAPK1 P28482 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MMP14 P50281 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC16A3 O15427 2/20 0.32
SLC16A1 P53985 2/20 0.32
TSHR P16473 1/20 0.31
PTPN11 Q06124 1/20 0.30
PTPRO Q16827 1/20 0.30
MPL P40238 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
SCHEMBL626834 1.00 MAPT (0.33) MAPTMAPK1MEN1NPC1LMNA
SCHEMBL10119239 0.87 MAPT (0.31) MAPTMAPK1SLC16A3SLC16A1
SCHEMBL15170413 0.86 MAPT (0.35) MAPTMAPK1MEN1NPC1LMNA
SCHEMBL15170414 0.86 MAPT (0.35) MAPTMAPK1MEN1NPC1LMNA
SCHEMBL10119241 0.86 NPC1 (0.36) MAPTMAPK1MEN1NPC1LMNA
SCHEMBL622515 0.83 HTT (0.44) MAPTMAPK1MEN1NPC1LMNA
SCHEMBL622516 0.83 HTT (0.44) MAPTMAPK1MEN1NPC1LMNA
SCHEMBL10119237 0.82 MAPT (0.32) MAPTMAPK1MEN1NPC1LMNA
SCHEMBL16887328 0.79 MAPT (0.31) MAPTMAPK1L3MBTL1PTPN11PTPRO
SCHEMBL13475206 0.78 HTT (0.34) MAPTMAPK1MEN1NPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601268-B1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2018-03-21 EP disclosed
US-9487611-B2 Particles for electrophoretic displays MERCK PATENT GMBH (DE) 2016-11-08 US disclosed
US-20130208344-A1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2013-08-15 US disclosed
EP-2601268-A1 PARTICLES FOR ELECTROPHORETIC DISPLAYS Merck Patent GmbH (DE) 2013-06-12 EP disclosed
WO-2012019704-A1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2012-02-16 WO disclosed