SCHEMBL2562497

SCHEMBL2562497

COc1cc(C=O)ccc1OCC(=O)NC(N)=O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.76
SMN1; SMN2 Q16637 3/20 0.76
POLB P06746 2/20 0.70
FDPS P14324 1/20 0.60
TSHR P16473 1/20 0.59
KDM4E B2RXH2 1/20 0.58
MAPT P10636 4/20 0.56
LMNA P02545 3/20 0.56
SNCA P37840 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CYP1A2 P05177 1/20 0.53
HSP90AA1 P07900 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
CYP2C19 P33261 1/20 0.53
NPY2R P49146 1/20 0.52
BLM P54132 1/20 0.52

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
SCHEMBL2559017 0.96 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2POLBFDPSTSHR
SCHEMBL2562592 0.88 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2POLBKDM4EMAPT
SCHEMBL2552984 0.86 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2POLBFDPSTSHR
SCHEMBL2556186 0.86 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2POLBFDPSTSHR
SCHEMBL29952641 0.84 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2POLBFDPSTSHR
SCHEMBL15332128 0.83 ALDH1A1 (0.89) ALDH1A1SMN1; SMN2POLBFDPSTSHR
SCHEMBL2284391 0.83 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2POLBFDPSTSHR
SCHEMBL29952092 0.83 POLB (1.00) ALDH1A1SMN1; SMN2POLBFDPSTSHR
SCHEMBL2562135 0.83 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2POLBFDPSTSHR
SCHEMBL2559748 0.82 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2POLBTSHRMAPT

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