SCHEMBL2477573

SCHEMBL2477573

NC(N)CN1CCNCC1.NCCNCCNCCNCCNCCN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.42
CA12 O43570 3/20 0.39
CA6 P23280 3/20 0.39
CA7 P43166 3/20 0.39
CA9 Q16790 3/20 0.39
CA14 Q9ULX7 3/20 0.39
CA5B Q9Y2D0 3/20 0.39
LMNA P02545 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CA2 P00918 2/20 0.39
CA3 P07451 2/20 0.39
CA4 P22748 2/20 0.39
CA5A P35218 2/20 0.39
CA1 P00915 1/20 0.39
ALOX15 P16050 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
ANPEP P15144 1/20 0.39
ERAP2 Q6P179 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL8871405 0.92 ACE2 (0.56) ACE2CA12CA6CA7CA9
Ethylenediamine SCHEMBL9064149 0.85 SMN1; SMN2 (0.38) ALOX15TP53ANPEPERAP2SMN1; SMN2
SCHEMBL27698375 0.83 ACE2 (0.40) ACE2CA12CA6CA7CA9
SCHEMBL467886 0.82 SMN1; SMN2 (0.41) TDP1ALOX15TP53ANPEPERAP2
SCHEMBL11032753 0.80 CXCR4 (0.44) ALOX15ANPEPERAP2SMN1; SMN2HSD17B10
SCHEMBL4388203 0.79 ACE2 (0.57) ACE2CA12CA6CA7CA9
Trientine SCHEMBL9064137 0.79 ACE2 (0.69) ACE2CA12CA6CA7CA9
Trientine SCHEMBL10749311 0.79 ACE2 (0.57) ACE2CA12CA6CA7CA9
SCHEMBL600834 0.79 ACE2 (0.69) ACE2CA12CA6CA7CA9
SCHEMBL2138667 0.79 ACE2 (0.69) ACE2CA12CA6CA7CA9

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-1307338-B1 MONOLITHIC EXPANDABLE STRUCTURES, METHODS OF MANUFACTURE AND COMPOSITE STRUCTURES HENKEL LOCTITE CORP (US) 2011-10-12 EP disclosed
EP-1307338-A4 MONOLITHIC EXPANDABLE STRUCTURES, METHODS OF MANUFACTURE AND COMPOSITE STRUCTURES HENKEL LOCTITE CORP (US) 2004-08-04 EP disclosed
EP-1307338-A1 MONOLITHIC EXPANDABLE STRUCTURES, METHODS OF MANUFACTURE AND COMPOSITE STRUCTURES Henkel Loctite Corporation (US) 2003-05-07 EP disclosed
WO-2002007963-A1 MONOLITHIC EXPANDABLE STRUCTURES, METHODS OF MANUFACTURE AND COMPOSITE STRUCTURES DEXTER CORPORATION (US) 2002-01-31 WO disclosed