SCHEMBL2558656

SCHEMBL2558656

CCCN(CC(=O)NC)c1c(F)cc(C=O)cc1F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
ALDH3A1 P30838 3/20 0.38
ALDH1A3 P47895 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
PTGS1 P23219 1/20 0.33
STAT3 P40763 1/20 0.33
NFE2L2 Q16236 1/20 0.33
LMNA P02545 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
THRB P10828 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL2562748 0.89 ALDH1A1 (0.38) ALDH1A1ALDH3A1ALDH1A3SMN1; SMN2PTGES
SCHEMBL2559701 0.83 ALDH1A1 (0.50) ALDH1A1ALDH3A1ALDH1A3SMN1; SMN2LMNA
SCHEMBL2561584 0.82 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2PTGESALOX5PTGS1
SCHEMBL2562721 0.77 ALDH1A1 (0.34) ALDH1A1ALDH3A1ALDH1A3THRBKDM4E
SCHEMBL2558078 0.76 ALDH1A1 (0.41) ALDH1A1ALDH3A1ALDH1A3SMN1; SMN2PTGES
SCHEMBL2558772 0.75 ALDH1A1 (0.54) ALDH1A1ALDH3A1ALDH1A3SMN1; SMN2NPSR1
SCHEMBL12227996 0.74 ALDH3A1 (0.37) ALDH1A1ALDH3A1ALDH1A3SMN1; SMN2LMNA
SCHEMBL29953881 0.74 ALDH1A3 (0.48) ALDH1A1ALDH3A1ALDH1A3SMN1; SMN2
SCHEMBL2560265 0.73 ALDH1A1 (0.51) ALDH1A1ALDH3A1ALDH1A3SMN1; SMN2KDM4E
SCHEMBL2554833 0.73 ALDH1A1 (0.39) ALDH1A1ALDH3A1ALDH1A3LMNANPSR1

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