SCHEMBL2558542

SCHEMBL2558542

O=Cc1ccc(OCCN2CCNC2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.47
HPGD P15428 4/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
ALK Q9UM73 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SCN9A Q15858 4/20 0.41
LTA4H P09960 2/20 0.40
SCN5A Q14524 2/20 0.39
PLA2G7 Q13093 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 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
SCHEMBL18758134 0.84 PDK2 (0.44) PDK2HPGDALDH1A1ALKMEN1
SCHEMBL2553749 0.84 PDK2 (0.49) PDK2SMN1; SMN2LMNAMAPTALK
SCHEMBL29954771 0.84 PDK2 (0.49) PDK2SMN1; SMN2LMNAMAPTALK
SCHEMBL29283173 0.82 LTA4H (0.50) PDK2ALDH1A1LMNAALKSCN9A
SCHEMBL18758131 0.82 PDK2 (0.43) PDK2HPGDALDH1A1MAPTALK
SCHEMBL2558430 0.79 HPGD (0.44) PDK2HPGDALDH1A1LMNAMAPT
SCHEMBL18914878 0.79 PDK2 (0.44) PDK2HPGDSMN1; SMN2ALKMEN1
SCHEMBL364465 0.78 FDPS (0.60) HPGDALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL2554805 0.78 FDPS (0.53) HPGDALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL29283179 0.78 KDM4E (0.57) PDK2ALDH1A1SMN1; SMN2LMNAMAPT

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 8 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
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
WO-2017064296-A1 METHOD FOR SYNTHESISING AROMATIC NITRONES ARKEMA FRANCE (FR) 2017-04-20 WO 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