SCHEMBL4595049

SCHEMBL4595049

CCCC[N+](C)(CC#N)CCCC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
SLC22A1 O15245 2/20 0.41
DNM1 Q05193 8/20 0.40
APAF1 O14727 1/20 0.39
HSP90AA1 P07900 1/20 0.39
RAD52 P43351 1/20 0.39
HTT P42858 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC22A2 O15244 1/20 0.35

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
SCHEMBL4596200 0.90 APAF1 (0.52) SLC22A1DNM1APAF1HSP90AA1RAD52
SCHEMBL5884703 0.90 APAF1 (0.52) SLC22A1DNM1APAF1HSP90AA1RAD52
Hydrochloric Acid SCHEMBL5884918 0.88 DNM1 (0.52) SLC22A1DNM1APAF1HSP90AA1RAD52
Bromide SCHEMBL10492627 0.88 DNM1 (0.52) TSHRDNM1APAF1HSP90AA1RAD52
Hydrochloric Acid SCHEMBL5080902 0.88 DNM1 (0.52) SLC22A1DNM1APAF1HSP90AA1RAD52
SCHEMBL10256317 0.83 ALDH1A1 (0.37) TSHRSLC22A1DNM1APAF1HSP90AA1
SCHEMBL10256740 0.80 TSHR (0.59) TSHRSLC22A1DNM1APAF1HSP90AA1
SCHEMBL10257109 0.80 TSHR (0.52) TSHRSLC22A1DNM1APAF1HSP90AA1
Tributylmethylammonium SCHEMBL21409548 0.80 SLC22A1 (0.53) SLC22A1DNM1APAF1HSP90AA1RAD52
Tributylmethylammonium SCHEMBL10910404 0.79 SLC22A1 (0.41) TSHRSLC22A1DNM1APAF1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064620-A1 Mixtures Of Ammonionitrile Bleach Activators And Amino Acids CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2008-03-13 US disclosed
EP-1758974-B1 MIXTURES CONSISTING OF AMMONIUM NITRILE BLEACH ACTIVATORS AND OF AMINO ACIDS CLARIANT PRODUKTE DEUTSCHLAND (DE) 2008-01-09 EP disclosed
EP-1758974-A1 MIXTURES CONSISTING OF AMMONIUM NITRILE BLEACH ACTIVATORS AND OF AMINO ACIDS Clariant Produkte (Deutschland) GmbH (DE) 2007-03-07 EP disclosed
WO-2005121295-A1 MIXTURES CONSISTING OF AMMONIUM NITRILE BLEACH ACTIVATORS AND OF AMINO ACIDS CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2005-12-22 WO disclosed