SCHEMBL946600

SCHEMBL946600

COc1c(NC2=NC(C3CCOCC3)N=C2SC)cccc1-c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TTK P33981 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
TSHR P16473 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
SCHEMBL1075785 0.87 TTK (0.34) TTKKDM4EALDH1A1L3MBTL1JAK2
SCHEMBL1076367 0.72 ALDH1A1 (0.33) TTKKDM4EALDH1A1L3MBTL1JAK2
SCHEMBL946112 0.67 ALDH1A1 (0.38) KDM4EALDH1A1L3MBTL1JAK2JAK1
SCHEMBL946601 0.65 BACE1 (0.44)
Hydrochloric Acid SCHEMBL28181585 0.60 ALDH1A1 (0.43) KDM4EALDH1A1L3MBTL1JAK2JAK1
SCHEMBL13385087 0.60 PDE4B (0.48) KDM4EALDH1A1L3MBTL1
SCHEMBL5609138 0.58 PDE4B (0.36) KDM4EJAK2JAK1TYK2
SCHEMBL30931031 0.57 KDM4E (0.52) KDM4EALDH1A1L3MBTL1TSHR
SCHEMBL3296653 0.57 ALDH1A1 (0.48) KDM4EALDH1A1L3MBTL1
SCHEMBL28039230 0.55 PDE4B (0.50) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011002408-A1 NOVEL COMPOUNDS FOR TREATMENT OF NEURODEGENERATION ASSOCIATED WITH DISEASES, SUCH AS ALZHEIMER'S DISEASE OR DEMENTIA ASTRAZENECA AB (SE) 2011-01-06 WO disclosed