SCHEMBL2555463

SCHEMBL2555463

CN(CC(N)=O)c1c(F)cc(C=O)cc1F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
FFAR4 Q5NUL3 2/20 0.35
ALOX5 P09917 2/20 0.34
STAT3 P40763 2/20 0.34
NFE2L2 Q16236 2/20 0.34
PTGES O14684 1/20 0.34
PTGS1 P23219 1/20 0.34
ERN1 O75460 3/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
GRM2 Q14416 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
SCHEMBL2555667 0.85 ALDH1A1 (0.35) ALDH1A1MAPK1L3MBTL1ALOX5STAT3
SCHEMBL15330278 0.81 ALDH1A1 (0.35) ALDH1A1MAPK1L3MBTL1ALOX5STAT3
SCHEMBL2554161 0.81 ALDH1A1 (0.39) ALDH1A1ERN1SMN1; SMN2
SCHEMBL2561584 0.81 ALDH1A1 (0.40) ALDH1A1FFAR4ALOX5STAT3NFE2L2
SCHEMBL2560905 0.79 ALDH1A1 (0.33) ALDH1A1MAPK1L3MBTL1ALOX5STAT3
SCHEMBL2556451 0.78 ALDH1A1 (0.42) ALDH1A1FFAR4ALOX5STAT3NFE2L2
SCHEMBL2562721 0.78 ALDH1A1 (0.34) ALDH1A1MAPK1L3MBTL1FFAR4
SCHEMBL2561754 0.77 ALDH1A1 (0.41) ALDH1A1L3MBTL1ALOX5STAT3NFE2L2
SCHEMBL2555782 0.76 MEN1 (0.35) ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL29954750 0.75 HPGD (0.40) ALDH1A1MAPK1

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