SCHEMBL4696951

SCHEMBL4696951

CCCCC[N+](CC)(CC)C(N)CC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
SLC22A1 O15245 2/20 0.42
SLC22A2 O15244 1/20 0.42
DNM1 Q05193 9/20 0.41
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HSP90AA1 P07900 1/20 0.38
RAD52 P43351 1/20 0.38

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
SCHEMBL15303838 0.79 SLC22A1 (0.43) HTTSLC22A1SLC22A2DNM1KMT2A
SCHEMBL1325838 0.74 DNM1 (0.44) HTTSLC22A1SLC22A2DNM1KMT2A
SCHEMBL28987962 0.73 DNM1 (0.46) HTTSLC22A1SLC22A2DNM1KMT2A
SCHEMBL29105079 0.72 LSS (0.45) HTTSLC22A1DNM1KMT2AALDH1A1
Bromide SCHEMBL29068575 0.71 DNM1 (0.50) HTTSLC22A1DNM1KMT2AALDH1A1
Iodide SCHEMBL19549305 0.71 DNM1 (0.50) HTTSLC22A1DNM1KMT2AHSP90AA1
Hydrochloric Acid SCHEMBL19331394 0.71 DNM1 (0.50) HTTSLC22A1DNM1KMT2AHSP90AA1
Hydrochloric Acid SCHEMBL29068569 0.71 DNM1 (0.50) HTTSLC22A1DNM1KMT2AHSP90AA1
Hydrochloric Acid SCHEMBL29068599 0.71 DNM1 (0.50) HTTSLC22A1DNM1KMT2AHSP90AA1
Water SCHEMBL29182137 0.71 APAF1 (0.48) HTTSLC22A1DNM1KMT2AHSP90AA1

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
EP-1630609-B1 Printing plate material and printing plate KONICA MINOLTA MED & GRAPHIC (JP) 2008-10-01 EP disclosed
US-7223522-B2 comprising image forming layers on the surfaces of polyester supports having backing layers, exhibit excellent print durability and image quality KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2007-05-29 US disclosed
EP-1630609-A1 Printing plate material and printing plate Konica Minolta Medical & Graphic, Inc. (JP) 2006-03-01 EP disclosed
US-20060040207-A1 comprising image forming layers on the surfaces of polyester supports having backing layers, exhibit excellent print durability and image quality KONICA MINOLTA MEDICAL & GRAPHIC, INC. 2006-02-23 US disclosed