SCHEMBL622516

SCHEMBL622516

CC(=O)Nc1cc(N(CCO)CCO)ccc1N=Nc1c(C#N)cc([N+](=O)[O-])cc1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.44
GAA P10253 1/20 0.44
RECQL P46063 1/20 0.40
ALDH1A1 P00352 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 7/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 3/20 0.36
POLB P06746 2/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
MMP14 P50281 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GLA P06280 2/20 0.32
CYP19A1 P11511 1/20 0.32

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
SCHEMBL622515 1.00 HTT (0.44) HTTGAARECQLALDH1A1TDP1
SCHEMBL622280 0.94 HTT (0.41) HTTGAARECQLALDH1A1TDP1
SCHEMBL622281 0.94 HTT (0.41) HTTGAARECQLALDH1A1TDP1
SCHEMBL11223012 0.91 RECQL (0.41) HTTGAARECQLALDH1A1MAPT
SCHEMBL29363175 0.91 RECQL (0.41) HTTGAARECQLALDH1A1MAPT
SCHEMBL11222989 0.91 RECQL (0.41) HTTGAARECQLALDH1A1MAPT
SCHEMBL22004961 0.88 MAPT (0.49) HTTGAARECQLALDH1A1MAPT
SCHEMBL10119241 0.87 NPC1 (0.36) HTTALDH1A1TDP1TSHRMAPT
SCHEMBL10119221 0.86 RECQL (0.36) HTTGAARECQLALDH1A1TDP1
SCHEMBL18179607 0.86 RECQL (0.41) HTTGAARECQLALDH1A1MAPT

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