SCHEMBL2559147

SCHEMBL2559147

CNC(=O)CN(C)c1ccc(C=O)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 2/20 0.56
ALDH5A1 P51649 1/20 0.47
ABAT P80404 1/20 0.47
ALDH1A1 P00352 10/20 0.44
MAPT P10636 8/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
LMNA P02545 4/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
VCAM1 P19320 1/20 0.43
HCAR3 P49019 2/20 0.43
HPGD P15428 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL29957587 0.88 ALDH3A1 (0.57) ALDH3A1ALDH5A1ABATALDH1A1MAPT
SCHEMBL29950930 0.86 ALDH3A1 (0.74) ALDH3A1ALDH5A1ABATALDH1A1MAPT
SCHEMBL2561640 0.85 ALDH3A1 (0.59) ALDH3A1ALDH5A1ABATALDH1A1MAPT
SCHEMBL2555933 0.81 ALDH1A1 (0.44) ALDH3A1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL2559087 0.79 ALDH1A1 (0.42) ALDH3A1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL2556619 0.79 ERN1 (0.48) ALDH1A1MAPTSMN1; SMN2LMNAKMT2A
SCHEMBL29403345 0.76 ALDH3A1 (0.69) ALDH3A1ALDH5A1ABATALDH1A1MAPT
SCHEMBL7142928 0.76 ALDH3A1 (0.69) ALDH3A1ALDH5A1ABATALDH1A1MAPT
SCHEMBL9380346 0.76 ALDH3A1 (0.61) ALDH3A1ALDH5A1ABATALDH1A1MAPT
SCHEMBL10582037 0.73 ALDH3A1 (0.78) ALDH3A1ALDH5A1ABATALDH1A1MAPT

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