SCHEMBL622281

SCHEMBL622281

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
GAA P10253 1/20 0.41
RECQL P46063 1/20 0.38
ALDH1A1 P00352 4/20 0.36
TDP1 Q9NUW8 3/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 5/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 1/20 0.33
MAPK1 P28482 1/20 0.33
MMP14 P50281 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GLA P06280 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
SCHEMBL622280 1.00 HTT (0.41) HTTGAARECQLALDH1A1TDP1
SCHEMBL622515 0.94 HTT (0.44) HTTGAARECQLALDH1A1TDP1
SCHEMBL622516 0.94 HTT (0.44) HTTGAARECQLALDH1A1TDP1
SCHEMBL13475206 0.92 HTT (0.34) HTTGAARECQLALDH1A1TDP1
SCHEMBL10943856 0.92 RECQL (0.36) HTTGAARECQLALDH1A1TDP1
SCHEMBL5388613 0.91 RECQL (0.39) HTTGAARECQLALDH1A1TDP1
SCHEMBL9319682 0.86 LMNA (0.39) HTTGAARECQLALDH1A1TDP1
SCHEMBL9319684 0.86 LMNA (0.39) HTTGAARECQLALDH1A1TDP1
SCHEMBL11222989 0.85 RECQL (0.41) HTTGAARECQLALDH1A1MAPT
SCHEMBL11223012 0.85 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106365243-B Abandon a class type rainwater deep cycle purifier and purification process thereof 徐州工程学院 2020-09-08 CN claimed
CN-106365243-B Abandon a class type rainwater deep cycle purifier and purification process thereof 徐州工程学院 2020-09-08 CN disclosed
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