SCHEMBL947178

SCHEMBL947178

CSC1=NC(c2cccc(Br)c2)(c2ccc3c(c2)OCCO3)N=C1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 3/20 0.37
BACE1 P56817 3/20 0.37
BACE2 Q9Y5Z0 2/20 0.37
MAPT P10636 4/20 0.36
LMNA P02545 3/20 0.36
HTT P42858 1/20 0.36
BLM P54132 1/20 0.36
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
TERT O14746 1/20 0.34
METAP2 P50579 2/20 0.33
EGFR P00533 3/20 0.33
TP53 P04637 1/20 0.32

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
SCHEMBL946979 0.85 BACE1 (0.42) CTSDBACE1BACE2MAPTLMNA
SCHEMBL932676 0.83 MAPT (0.38) CTSDBACE1BACE2MAPTLMNA
SCHEMBL932646 0.80 BACE1 (0.46) CTSDBACE1MAOBMEN1KMT2A
SCHEMBL932184 0.78 BACE1 (0.48) CTSDBACE1BACE2
SCHEMBL932202 0.75 BACE1 (0.34) CTSDBACE1BACE2MAPTRAB9A
SCHEMBL932215 0.75 BACE1 (0.41) CTSDBACE1BACE2
SCHEMBL932513 0.74 BACE1 (0.51) CTSDBACE1BACE2
SCHEMBL4912050 0.70 BACE1 (0.69) CTSDBACE1BACE2
SCHEMBL946218 0.70 BACE1 (0.49) CTSDBACE1BACE2
SCHEMBL945997 0.67 BACE1 (0.66) CTSDBACE1BACE2

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
WO-2011002407-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
WO-2011002407-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