SCHEMBL2563489

SCHEMBL2563489

CN(CC(N)=O)c1ccc(F)cc1C=O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 0.39
ALDH1A1 P00352 2/20 0.36
GRM2 Q14416 1/20 0.36
KDM4E B2RXH2 1/20 0.36
IKBKB O14920 1/20 0.35
MAPT P10636 1/20 0.35
ICMT O60725 1/20 0.33
HTT P42858 1/20 0.33
MPO P05164 1/20 0.32

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
SCHEMBL29956039 0.86 ERN1 (0.40) ERN1ALDH1A1KDM4EMAPTMPO
SCHEMBL2556059 0.82 ERN1 (0.35) ERN1ALDH1A1GRM2KDM4EMAPT
SCHEMBL2557844 0.82 ERN1 (0.37) ERN1ALDH1A1KDM4EMAPTHTT
SCHEMBL2560168 0.80 IDO1 (0.36) ERN1ALDH1A1KDM4EMAPT
SCHEMBL29956046 0.80 MPO (0.38) ERN1ALDH1A1KDM4EMAPTHTT
SCHEMBL29954725 0.79 ICMT (0.35) ERN1ALDH1A1ICMT
SCHEMBL2554161 0.79 ALDH1A1 (0.39) ERN1ALDH1A1KDM4E
SCHEMBL2557425 0.79 MEN1 (0.40) ERN1ALDH1A1KDM4EMAPTHTT
SCHEMBL15330752 0.79 MEN1 (0.42) ERN1ALDH1A1MAPT
SCHEMBL2553715 0.79 ERN1 (0.50) ERN1ALDH1A1MAPTHTT

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