SCHEMBL2561640

SCHEMBL2561640

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 2/20 0.59
MAPT P10636 8/20 0.49
MAPK1 P28482 2/20 0.49
ALDH5A1 P51649 1/20 0.49
ABAT P80404 1/20 0.49
ALDH1A1 P00352 8/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
VCAM1 P19320 1/20 0.46
HCAR3 P49019 2/20 0.45
LMNA P02545 2/20 0.44
HPGD P15428 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A3 P47895 1/20 0.40

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
SCHEMBL2559147 0.85 ALDH3A1 (0.56) ALDH3A1MAPTMAPK1ALDH5A1ABAT
SCHEMBL2559439 0.84 ALDH3A1 (0.55) ALDH3A1MAPTMAPK1ALDH5A1ABAT
SCHEMBL29957587 0.83 ALDH3A1 (0.57) ALDH3A1MAPTMAPK1ALDH5A1ABAT
SCHEMBL2562764 0.80 ALDH1A1 (0.40) ALDH3A1ALDH5A1ABATALDH1A1HPGD
SCHEMBL29403345 0.78 ALDH3A1 (0.69) ALDH3A1MAPTMAPK1ALDH5A1ABAT
SCHEMBL7142928 0.78 ALDH3A1 (0.69) ALDH3A1MAPTMAPK1ALDH5A1ABAT
SCHEMBL9380346 0.78 ALDH3A1 (0.61) ALDH3A1MAPTMAPK1ALDH5A1ABAT
SCHEMBL2554161 0.78 ALDH1A1 (0.39) ALDH3A1ALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL1821316 0.77 CTSD (0.44) MAPTALDH1A1HCAR3LMNANPSR1
SCHEMBL2553715 0.77 ERN1 (0.50) ALDH3A1MAPTMAPK1ALDH1A1SMN1; SMN2

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