SCHEMBL2560168

SCHEMBL2560168

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.36
ERN1 O75460 2/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
SLC16A3 O15427 1/20 0.32
SLC16A1 P53985 1/20 0.32
ALDH1A3 P47895 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL29956039 0.87 ERN1 (0.40) ERN1SLC6A4MAPTKDM4EALDH1A1
SCHEMBL2559629 0.82 AOC3 (0.36) MEN1KMT2AALDH1A1
SCHEMBL2558260 0.82 ALDH1A3 (0.38) IDO1ALDH1A3MEN1MAPTHPGD
SCHEMBL2556059 0.81 ERN1 (0.35) ERN1MAPTKDM4EALDH1A1
SCHEMBL29954725 0.81 ICMT (0.35) ERN1SLC16A3SLC16A1ALDH1A3ALDH1A1
SCHEMBL2563489 0.80 ERN1 (0.39) ERN1MAPTKDM4EALDH1A1
SCHEMBL2555361 0.77 ALDH1A3 (0.38) IDO1ALDH1A3MEN1MAPTHPGD
SCHEMBL2562483 0.76 SLC16A3 (0.39) SLC16A3SLC16A1MEN1MAPTHPGD
SCHEMBL2560938 0.73 ALDH1A1 (0.50) ALDH1A3MEN1MAPTHPGDKMT2A
SCHEMBL2560905 0.73 ALDH1A1 (0.33) IDO1L3MBTL1ALDH1A1

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