SCHEMBL2561083

SCHEMBL2561083

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
PPARD Q03181 1/20 0.33
SRC P12931 1/20 0.33
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33
IGLV6-57 P01721 1/20 0.32
TYR P14679 1/20 0.32
MAPT P10636 2/20 0.31
PTGS2 P35354 1/20 0.31
HPGD P15428 1/20 0.31
BRD4 O60885 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
SCHEMBL29951499 0.86 ALDH1A1 (0.41) ALDH1A1TSHRL3MBTL1KDM4EGAA
SCHEMBL9320257 0.86 CA12 (0.41) ALDH1A1TSHRL3MBTL1KDM4EGAA
SCHEMBL2554624 0.82 ALDH1A1 (0.35) ALDH1A1TSHRL3MBTL1KDM4EGAA
SCHEMBL2563042 0.81 IGLV6-57 (0.36) ALDH1A1TSHRL3MBTL1NPC1PKM
SCHEMBL29957388 0.80 ALDH1A1 (0.37) ALDH1A1TSHRL3MBTL1KDM4EGAA
SCHEMBL15332326 0.79 ALDH1A1 (0.39) ALDH1A1L3MBTL1TYRHPGD
SCHEMBL2562483 0.79 SLC16A3 (0.39) ALDH1A1TSHRL3MBTL1KDM4EGAA
SCHEMBL24991896 0.78 CYBB (0.39) ALDH1A1TSHRL3MBTL1KDM4EGAA
SCHEMBL2558806 0.78 BCHE (0.38) ALDH1A1TSHRL3MBTL1KDM4EGAA
SCHEMBL29955001 0.78 S1PR1 (0.39) ALDH1A1L3MBTL1GAANPC1PKM

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