SCHEMBL15435928

SCHEMBL15435928

O=C(O)N1CCN(CCOCCOCCOCCN2CCNCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 4/20 0.49
TDP1 Q9NUW8 2/20 0.49
SIGMAR1 Q99720 1/20 0.42
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL15435923 0.83 NAMPT (0.43) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL16758742 0.81 HSD11B1 (0.47) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL21855434 0.81 SIGMAR1 (0.39) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL20745447 0.81 HSD11B1 (0.47) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL15874989 0.81 MEN1 (0.52) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL932436 0.81 MEN1 (0.52) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL3553321 0.81 NAMPT (0.44) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL30014967 0.80 CACNA2D1 (0.39) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL23987984 0.80 CXCR4 (0.52) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL15435916 0.79 MEN1 (0.45) MEN1KMT2AALDH1A1KDM4ETDP1

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