SCHEMBL8488604

SCHEMBL8488604

CCCCCCCCCCCN(C1CN(CC(C)O)CCN(CC(=O)OCC)CCN(CC(=O)OCC)CCN1CC(=O)OCC)S(C)(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SIGMAR1 Q99720 2/20 0.32

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
SCHEMBL8487218 1.00 MEN1 (0.33) MEN1KMT2ASMN1; SMN2SIGMAR1
SCHEMBL8491771 0.96 SIGMAR1 (0.35) MEN1KMT2ASMN1; SMN2SIGMAR1
SCHEMBL8491780 0.88 MEN1 (0.33) MEN1KMT2ASMN1; SMN2
SCHEMBL8485655 0.87 S1PR1 (0.36) SIGMAR1
SCHEMBL8490617 0.87 S1PR1 (0.36) SIGMAR1
SCHEMBL8489660 0.85
SCHEMBL8486397 0.85
SCHEMBL8489937 0.82 SIGMAR1 (0.33) SIGMAR1
SCHEMBL8488573 0.81 SIGMAR1 (0.32) SIGMAR1
SCHEMBL8488600 0.75 PER2 (0.38) MEN1KMT2ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5919431-A 1,4,7,10-tetraazacyclododecane derivatives, their use, pharmaceutical agents containing these compounds and process for their production SCHERING AKTIENGESELLSCHAFT (DE) 1999-07-06 US disclosed