SCHEMBL15435917

SCHEMBL15435917

CC(C)(C)C1CN(CCOCCOCCOCCN2CCNCC2)CCN1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 5/20 0.42
TDP1 Q9NUW8 3/20 0.42
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL15435944 0.86 HTR1A (0.35) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL15435914 0.85 HRH3 (0.34) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL16898773 0.80 MEN1 (0.32) MEN1KMT2AKDM4EHRH3
SCHEMBL15435928 0.77 MEN1 (0.51) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL1525497 0.76 CYP2J2 (0.33) MEN1KMT2AHRH1SIGMAR1
SCHEMBL2076961 0.76 MAPK1 (0.37) KMT2AALDH1A1KDM4EGAA
SCHEMBL15435926 0.75 MEN1 (0.39) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL3657529 0.75 CYP2J2 (0.32) HRH1
SCHEMBL28780771 0.75 DRD3 (0.33) SMN1; SMN2SIGMAR1
SCHEMBL3009489 0.75 CYP2J2 (0.32) HRH1HRH3

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
WO-2014016202-A1 METHODS FOR CATALYTIC ALKYLATION OF NUCLEIC ACIDS UNIVERSITÄT BASEL (CH) 2014-01-30 WO disclosed
EP-2689847-A1 Methods for catalytic alkylation of nucleic acids Universität Basel (CH) 2014-01-29 EP disclosed