SCHEMBL2559017

SCHEMBL2559017

COc1ccc(C=O)cc1OCC(=O)NC(N)=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
POLB P06746 1/20 0.64
TSHR P16473 1/20 0.57
FDPS P14324 1/20 0.54
KDM4E B2RXH2 1/20 0.53
LMNA P02545 3/20 0.51
MAPT P10636 2/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
PDE4B Q07343 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SNCA P37840 1/20 0.49
AOX1 Q06278 1/20 0.49
TRIM24 O15164 1/20 0.49
HPGD P15428 1/20 0.49
ALDH5A1 P51649 1/20 0.49
ABAT P80404 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL2562497 0.96 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2POLBTSHRFDPS
SCHEMBL2562592 0.89 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2POLBKDM4ELMNA
SCHEMBL15332128 0.87 ALDH1A1 (0.89) ALDH1A1SMN1; SMN2POLBTSHRFDPS
SCHEMBL2560660 0.85 ALDH1A1 (0.78) ALDH1A1SMN1; SMN2POLBTSHRFDPS
SCHEMBL29958425 0.85 ALDH1A1 (0.90) ALDH1A1SMN1; SMN2POLBTSHRFDPS
SCHEMBL7677018 0.84 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2POLBTSHRFDPS
SCHEMBL29950552 0.84 POLB (0.90) ALDH1A1SMN1; SMN2POLBTSHRFDPS
SCHEMBL2556412 0.84 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2POLBTSHRFDPS
SCHEMBL2559748 0.83 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2POLBTSHRMAPT
SCHEMBL15332004 0.83 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2POLBTSHRFDPS

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 7 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
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