SCHEMBL5884703

SCHEMBL5884703

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.52
HSP90AA1 P07900 1/20 0.52
RAD52 P43351 1/20 0.52
DNM1 Q05193 9/20 0.50
HTT P42858 5/20 0.50
SLC22A1 O15245 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
RAB9A P51151 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
LSS P48449 1/20 0.46

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 1.00 APAF1 (0.52) APAF1HSP90AA1RAD52DNM1HTT
Hydrochloric Acid SCHEMBL5080902 0.98 DNM1 (0.52) APAF1HSP90AA1RAD52DNM1HTT
Hydrochloric Acid SCHEMBL5884918 0.98 DNM1 (0.52) APAF1HSP90AA1RAD52DNM1HTT
Bromide SCHEMBL10492627 0.98 DNM1 (0.52) APAF1HSP90AA1RAD52DNM1HTT
SCHEMBL4595049 0.90 TSHR (0.43) APAF1HSP90AA1RAD52DNM1HTT
Sulfuric Acid SCHEMBL5078787 0.85 LSS (0.39) APAF1HSP90AA1RAD52DNM1HTT
SCHEMBL3891425 0.84 HTT (0.61) APAF1HSP90AA1RAD52DNM1HTT
Hydrochloric Acid SCHEMBL4660185 0.82 HTT (0.59) HSP90AA1RAD52DNM1HTTSMN1; SMN2
Thiocyanic Acid SCHEMBL9064959 0.81 APAF1 (0.52) APAF1HSP90AA1RAD52DNM1HTT
Thiocyanic Acid SCHEMBL9416903 0.81 APAF1 (0.52) APAF1HSP90AA1RAD52DNM1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7015185-B2 Ammonium nitriles and the use thereof as hydrophobic bleaching activators CLARIANT GMBH (DE) 2006-03-21 US disclosed
US-20040266644-A1 Ammonium nitriles and the use thereof as hydrophobic bleaching activators CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2004-12-30 US disclosed