SCHEMBL2562483

SCHEMBL2562483

Cc1cc(N(CC(N)=O)CC(C)C)ccc1C=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.39
SLC16A1 P53985 1/20 0.39
AR P10275 1/20 0.37
ALDH1A1 P00352 6/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TYR P14679 1/20 0.34
S100B P04271 1/20 0.32
MAPT P10636 4/20 0.32
KDM4E B2RXH2 3/20 0.32
MEN1 O00255 2/20 0.32
HPGD P15428 2/20 0.32
HTT P42858 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
BRD4 O60885 1/20 0.32
NPSR1 Q6W5P4 1/20 0.30
GAA P10253 1/20 0.30
TSHR P16473 1/20 0.30
NPC1 O15118 1/20 0.30
PKM P14618 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
SCHEMBL29951499 0.89 ALDH1A1 (0.41) ALDH1A1L3MBTL1TYRS100BMAPT
SCHEMBL8672282 0.86 ALDH1A1 (0.43) SLC16A3SLC16A1ARALDH1A1L3MBTL1
SCHEMBL2563042 0.81 IGLV6-57 (0.36) ALDH1A1L3MBTL1TYRBRD4TSHR
SCHEMBL29956977 0.81 SLC16A3 (0.40) SLC16A3SLC16A1ARALDH1A1L3MBTL1
SCHEMBL2561083 0.79 ALDH1A1 (0.34) ALDH1A1L3MBTL1TYRMAPTKDM4E
SCHEMBL2560938 0.79 ALDH1A1 (0.50) ALDH1A1L3MBTL1TYRMAPTKDM4E
SCHEMBL2560168 0.76 IDO1 (0.36) SLC16A3SLC16A1ALDH1A1L3MBTL1MAPT
SCHEMBL2555361 0.75 ALDH1A3 (0.38) ALDH1A1L3MBTL1MAPTKDM4EMEN1
SCHEMBL2559629 0.74 AOC3 (0.36) ALDH1A1MEN1HTTKMT2ATSHR
SCHEMBL29956533 0.73 ALDH1A1 (0.46) ALDH1A1L3MBTL1S100BMAPTKDM4E

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