SCHEMBL7525959

SCHEMBL7525959

NCCN1CCNCCN(CCN)CC1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.68
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CXCR4 P61073 2/20 0.46
HSD17B10 Q99714 1/20 0.42
ACE2 Q9BYF1 1/20 0.41
SIGMAR1 Q99720 5/20 0.39
RAD52 P43351 1/20 0.39
ANPEP P15144 1/20 0.37
ERAP2 Q6P179 1/20 0.37

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
SCHEMBL9349784 1.00 ALOX15 (0.68) ALOX15POLBSMN1; SMN2CXCR4HSD17B10
SCHEMBL9351533 0.97 ALOX15 (0.65) ALOX15POLBSMN1; SMN2CXCR4HSD17B10
SCHEMBL19233536 0.97 ALOX15 (0.65) ALOX15POLBSMN1; SMN2CXCR4HSD17B10
SCHEMBL8765274 0.97
SCHEMBL790495 0.97 ALOX15 (0.63) ALOX15POLBSMN1; SMN2CXCR4HSD17B10
SCHEMBL17210 0.97
SCHEMBL4368013 0.95 ALOX15 (0.60) ALOX15POLBSMN1; SMN2CXCR4HSD17B10
Hydrochloric Acid SCHEMBL3668255 0.95 ALOX15 (0.60) ALOX15POLBSMN1; SMN2CXCR4HSD17B10
Ethylenediamine SCHEMBL15190578 0.95 ALOX15 (0.60) ALOX15POLBSMN1; SMN2CXCR4HSD17B10
Bromide SCHEMBL7773479 0.95 ALOX15 (0.60) ALOX15POLBSMN1; SMN2CXCR4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020066542-A1 Transition metal complexes with polydentate ligands for enhancing the bleaching and delignifying effect of peroxo compounds DEGUSSA AG (DE) 2002-06-06 US disclosed
EP-1199402-A2 Process for delignifying and/or bleaching fibrous material Degussa AG (DE) 2002-04-24 EP disclosed
WO-1995019185-A1 FUNCTIONALIZED AZA-MACROBICYCLIC LIGANDS FOR IMAGING APPLICATIONS MALLINCKRODT MEDICAL, INC. (US) 1995-07-20 WO disclosed