SCHEMBL2553715

SCHEMBL2553715

CN(CC(N)=O)c1ccc([N+](=O)[O-])cc1C=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.50
ALDH1A1 P00352 8/20 0.46
HTT P42858 2/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.43
KMT2A Q03164 3/20 0.41
MAPT P10636 6/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
HCRTR1 O43613 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH3A1 P30838 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL15330430 0.85 ERN1 (0.46) ERN1ALDH1A1HTTTP53POLB
SCHEMBL2556619 0.84 ERN1 (0.48) ERN1ALDH1A1HTTTP53POLB
SCHEMBL29956412 0.82 ERN1 (0.46) ERN1ALDH1A1HTTTP53POLB
SCHEMBL28886073 0.79 ERN1 (0.57) ERN1ALDH1A1HTTTP53POLB
SCHEMBL4749290 0.79 ERN1 (0.50) ERN1ALDH1A1HTTTP53POLB
SCHEMBL7549386 0.78 MMP14 (0.55) ERN1ALDH1A1HTTTP53POLB
SCHEMBL2561640 0.77 ALDH3A1 (0.59) ALDH1A1KMT2AMAPTL3MBTL1MEN1
SCHEMBL5549429 0.77 ALDH1A1 (0.51) ERN1ALDH1A1HTTTP53POLB
SCHEMBL6773511 0.76 CRHBP (0.56) ERN1ALDH1A1HTTTP53POLB
SCHEMBL7929503 0.74 HTT (0.48) ERN1ALDH1A1HTTTP53POLB

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