SCHEMBL2559629

SCHEMBL2559629

CC(C)CN(CC(N)=O)c1ccccc1C=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.36
RORC P51449 5/20 0.34
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 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
SCHEMBL29955172 0.86 TDP1 (0.41) TDP1MEN1LMNATHRBBLM
SCHEMBL2560168 0.82 IDO1 (0.36) MEN1KMT2AALDH1A1
SCHEMBL15332332 0.79 POLB (0.36) RORCTDP1MEN1LMNATHRB
SCHEMBL29954875 0.79 ALDH1A1 (0.34) TDP1MEN1LMNATHRBBLM
SCHEMBL2559520 0.79 RORC (0.41) RORCTDP1MEN1LMNABLM
SCHEMBL2557425 0.79 MEN1 (0.40) TDP1MEN1LMNATHRBBLM
SCHEMBL2560938 0.77 ALDH1A1 (0.50) TDP1MEN1KMT2AALDH1A1POLB
SCHEMBL2555361 0.75 ALDH1A3 (0.38) MEN1KMT2AALDH1A1TSHRPOLB
SCHEMBL2558260 0.74 ALDH1A3 (0.38) MEN1KMT2AALDH1A1TSHRPOLB
SCHEMBL2562483 0.74 SLC16A3 (0.39) MEN1KMT2AALDH1A1TSHRHTT

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