SCHEMBL622494

SCHEMBL622494

CC(=O)Nc1cc(N(CCO)CCO)ccc1N=Nc1snc(C)c1C#N

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
MMP14 P50281 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 1/20 0.31
ALDH1A1 P00352 3/20 0.31
HPGD P15428 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
TSHR P16473 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
SCHEMBL622493 1.00 NPC1 (0.36) NPC1MAPTMEN1KMT2ATDP1
SCHEMBL13486712 0.91 GHSR (0.36) NPC1MAPTMEN1KMT2ATDP1
SCHEMBL15170502 0.90 MEN1 (0.34) NPC1MAPTMEN1KMT2ATDP1
SCHEMBL15170508 0.90 MEN1 (0.34) NPC1MAPTMEN1KMT2ATDP1
SCHEMBL15232036 0.89 SLC16A3 (0.35) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL15232039 0.89 SLC16A3 (0.35) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL622888 0.89 ALDH1A1 (0.34) NPC1MAPTMEN1KMT2ATDP1
SCHEMBL622889 0.89 ALDH1A1 (0.34) NPC1MAPTMEN1KMT2ATDP1
SCHEMBL20169550 0.88 MAPT (0.39) NPC1MAPTMEN1KMT2AHTT
SCHEMBL623559 0.86

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 10 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-20140084216-A1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2014-03-27 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-2012152392-A1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2012-11-15 WO disclosed
WO-2012019704-A1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2012-02-16 WO disclosed
EP-0605566-A1 LIGHT-ABSORBING POLYURETHANE COMPOSITIONS AND THERMOPLASTIC POLYMERS COLORED THEREWITH EASTMAN CHEMICAL COMPANY (US) 1994-07-13 EP disclosed
WO-1993006147-A1 LIGHT-ABSORBING POLYURETHANE COMPOSITIONS AND THERMOPLASTIC POLYMERS COLORED THEREWITH EASTMAN KODAK COMPANY (US) 1993-04-01 WO disclosed
US-5194463-A LIGHT-ABSORBING POLYURETHANE COMPOSITIONS AND THERMOPLASTIC POLYMERS COLORED THEREWITH EASTMAN KODAK COMPANY (US) 1993-03-16 US disclosed