SCHEMBL15435914

SCHEMBL15435914

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

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 5/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31

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 0.88 HTR1A (0.35) HRH3MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL3657529 0.85 CYP2J2 (0.32) LMNA
SCHEMBL15435917 0.85 MEN1 (0.44) HRH3MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL16099560 0.85
SCHEMBL16898773 0.82 MEN1 (0.32) HRH3MEN1KMT2AKDM4E
SCHEMBL1525497 0.78 CYP2J2 (0.33) MEN1KMT2ALMNAPOLBCYP2C19
SCHEMBL26101702 0.78 HRH3 (0.41) HRH3KDM4ELMNASMN1; SMN2POLB
SCHEMBL2076961 0.78 MAPK1 (0.37) KMT2AKDM4ELMNAGAAALDH1A1
SCHEMBL15435926 0.77 MEN1 (0.39) HRH3MEN1KMT2AKDM4EGAA
SCHEMBL28780771 0.77 DRD3 (0.33) SMN1; SMN2CYP2D6

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