SCHEMBL15435926

SCHEMBL15435926

Cc1ccc(S(=O)(=O)OCCOCCOCCOCCN2CCN(C(=O)O)C(C(C)(C)C)C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
CYP2D6 P10635 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP2J2 P51589 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
STAT3 P40763 1/20 0.34
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34

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
SCHEMBL16898833 0.82 KCNA5 (0.46) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL15435944 0.78 HTR1A (0.35) MEN1KMT2AHRH2HRH1CYP2D6
SCHEMBL15435914 0.77 HRH3 (0.34) MEN1KMT2ACYP2D6GAAALDH1A1
SCHEMBL15435917 0.75 MEN1 (0.44) MEN1KMT2AHRH2HRH1GAA
SCHEMBL15435927 0.75 KMT2A (0.49) MEN1KMT2AMMP13
SCHEMBL16906911 0.75 KMT2A (0.49) MEN1KMT2AMMP13
SCHEMBL26101702 0.73 HRH3 (0.41) CYP2J2KDM4EHRH3
SCHEMBL16898356 0.72 ALDH1A1 (0.41) MEN1KMT2ACYP2D6ALDH1A1KDM4E
SCHEMBL634557 0.72 ALDH1A1 (0.39) MEN1KMT2ACYP2D6GAATSHR
SCHEMBL16728454 0.72 L3MBTL1 (0.40) KMT2ACYP2D6MMP9MMP13ALDH1A1

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