SCHEMBL9308148

SCHEMBL9308148

NCC(CN)CCCCOC1CCCCO1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4C Q9H3R0 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL25869824 0.84 MEN1 (0.46) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL9732235 0.83 MEN1 (0.41) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL2491979 0.83 MEN1 (0.48) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL17336057 0.83 MEN1 (0.45) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL11024894 0.82 MEN1 (0.54) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL8971720 0.81 MEN1 (0.48) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL6575753 0.81 MEN1 (0.48) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL16376197 0.80 MEN1 (0.56) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL17662480 0.80 MEN1 (0.45) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL6947738 0.80 MEN1 (0.50) MEN1KMT2AKDM4CL3MBTL1NPC1

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-5302370-A Form complexes with rhenium and technetium INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH (DE) 1994-04-12 US disclosed
EP-0417870-A2 Chelates for complexation of radioactive isotopes, their metal complexes and their use in diagnosis and therapy INSTITUT FÜR DIAGNOSTIKFORSCHUNG GmbH AN DER FREIEN UNIVERSITÄT BERLIN (DE) 1991-03-20 EP disclosed