SCHEMBL2558467

SCHEMBL2558467

O=CC1CCCN(CC(=O)Nc2ncccn2)C1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
DPP4 P27487 1/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.37
APP P05067 1/20 0.37

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
SCHEMBL2556713 0.84 HTT (0.50) HTTMEN1KMT2AALDH1A1KDM4E
SCHEMBL15329676 0.81 EPHX2 (0.54) HTTMEN1KMT2AALDH1A1LMNA
SCHEMBL15330891 0.81 ALDH1A1 (0.63) HTTMEN1KMT2AALDH1A1KDM4E
SCHEMBL15330243 0.78 MEN1 (0.52) MEN1KMT2AALDH1A1KDM4ENPC1
SCHEMBL2554175 0.77 HPGD (0.67) MEN1KMT2AL3MBTL1ALDH1A1NPC1
SCHEMBL2559568 0.77 ALDH1A1 (0.65) KMT2AL3MBTL1ALDH1A1KDM4ETSHR
SCHEMBL2560196 0.77 MEN1 (0.57) MEN1KMT2AL3MBTL1ALDH1A1KDM4E
SCHEMBL2559211 0.77 ALDH1A1 (0.65) HTTMEN1KMT2AALDH1A1KDM4E
SCHEMBL2562333 0.77 MAPT (0.53) HTTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL20578475 0.76 ALDH1A1 (0.42) HTTMEN1KMT2AL3MBTL1ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed