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
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