SCHEMBL2554833

SCHEMBL2554833

CCCN(CC(=O)NC)c1ccc(F)cc1C=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
ALDH3A1 P30838 3/20 0.39
ALDH1A3 P47895 3/20 0.39
POLB P06746 3/20 0.35
APEX1 P27695 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 2/20 0.33
ERN1 O75460 1/20 0.33
LMNA P02545 4/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MPO P05164 1/20 0.33
HCAR3 P49019 1/20 0.33
THRB P10828 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
RAB9A P51151 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 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
SCHEMBL29950882 0.89 ALDH1A3 (0.39) ALDH1A1ALDH3A1ALDH1A3POLBMAPT
SCHEMBL2557844 0.83 ERN1 (0.37) ALDH1A1POLBMAPTERN1LMNA
SCHEMBL2559420 0.82 NPSR1 (0.36) ALDH1A1ALDH3A1ALDH1A3TDP1LMNA
SCHEMBL2559701 0.81 ALDH1A1 (0.50) ALDH1A1ALDH3A1ALDH1A3POLBLMNA
SCHEMBL29954725 0.78 ICMT (0.35) ALDH1A1ALDH3A1ALDH1A3ERN1
SCHEMBL29955288 0.77 ALDH1A3 (0.38) ALDH1A1ALDH3A1ALDH1A3MAPTERN1
SCHEMBL2560265 0.76 ALDH1A1 (0.51) ALDH1A1ALDH3A1ALDH1A3POLBKDM4E
SCHEMBL2559648 0.76 ALDH1A1 (0.39) ALDH1A1ALDH3A1ALDH1A3MAPTLMNA
SCHEMBL29955358 0.75 ALDH1A1 (0.46) ALDH1A1ALDH3A1ALDH1A3POLBERN1
SCHEMBL2560999 0.74 GRIN2B (0.40) ALDH1A1ERN1RAB9A

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