SCHEMBL2556059

SCHEMBL2556059

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

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.35
HRH4 Q9H3N8 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.32
DPP4 P27487 2/20 0.32
DPP9 Q86TI2 2/20 0.32
GRM2 Q14416 1/20 0.31

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
SCHEMBL2563489 0.82 ERN1 (0.39) ERN1ALDH1A1KDM4EMAPTGRM2
SCHEMBL15332332 0.81 POLB (0.36) ALDH1A1
SCHEMBL2560168 0.81 IDO1 (0.36) ERN1ALDH1A1KDM4EMAPT
SCHEMBL29956039 0.81 ERN1 (0.40) ERN1ALDH1A1KDM4EMAPTDPP9
SCHEMBL2561620 0.80 ALDH1A1 (0.36) ALDH1A1KDM4E
SCHEMBL29950624 0.77 ERN1 (0.37) ERN1ALDH1A1KDM4EMAPT
SCHEMBL2560571 0.75 ALDH1A1 (0.37) ALDH1A1KDM4E
SCHEMBL29954725 0.75 ICMT (0.35) ERN1ALDH1A1
SCHEMBL29952046 0.73 JAK2 (0.37) ERN1ALDH1A1MAPTDPP4DPP9
SCHEMBL2563042 0.72 IGLV6-57 (0.36) ALDH1A1

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