SCHEMBL5221827

SCHEMBL5221827

CCn1ncc2c(NC(=O)CCCCl)cc(C(=O)OC)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
HSD17B10 Q99714 3/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PTGER3 P43115 2/20 0.38
ALDH1A1 P00352 7/20 0.37
HPGD P15428 1/20 0.37
PDE4D Q08499 2/20 0.37
PKM P14618 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PDE4B Q07343 1/20 0.36
MAPT P10636 2/20 0.36
ATM Q13315 1/20 0.35
MDH1 P40925 1/20 0.35
MDH2 P40926 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL5221511 0.78 ALDH1A1 (0.39) KDM4EHSD17B10TSHRMEN1KMT2A
SCHEMBL5224165 0.76 ALDH1A1 (0.47) KDM4EHSD17B10TSHRMEN1KMT2A
SCHEMBL15910578 0.75 KDM4E (0.48) KDM4EHSD17B10TSHRMEN1GAA
SCHEMBL5221959 0.75 KDM4E (0.41) KDM4EHSD17B10TSHRMEN1GAA
SCHEMBL5217023 0.75 ALDH1A1 (0.46) KDM4EHSD17B10TSHRMEN1KMT2A
SCHEMBL5221268 0.74 PTGER3 (0.35) KDM4EHSD17B10TSHRMEN1GAA
SCHEMBL5222170 0.72 ALDH1A1 (0.42) KDM4EHSD17B10TSHRALDH1A1HPGD
SCHEMBL5223269 0.71 KDM4E (0.49) KDM4EHSD17B10TSHRMEN1GAA
SCHEMBL475604 0.70 ALDH1A1 (0.53) KDM4EHSD17B10MEN1GAAKMT2A
SCHEMBL5220585 0.70 ALDH1A1 (0.63) KDM4EHSD17B10TSHRMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed
CN-1735592-A Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LTD (GB) 2006-02-15 CN disclosed