SCHEMBL932676

SCHEMBL932676

NC1=NC(c2cccc(Br)c2)(c2ccc3c(c2)OCCO3)N=C1S

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 1/20 0.38
BLM P54132 1/20 0.38
MAOB P27338 2/20 0.38
GAA P10253 2/20 0.38
MAOA P21397 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CTSD P07339 3/20 0.36
BACE1 P56817 3/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
BACE2 Q9Y5Z0 2/20 0.36
METAP2 P50579 1/20 0.35
EGFR P00533 4/20 0.34
TERT O14746 1/20 0.34
TP53 P04637 1/20 0.33

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 0.86 BACE1 (0.42) MAPTLMNAHTTBLMMAOB
SCHEMBL947178 0.83 CTSD (0.37) MAPTLMNAHTTBLMMAOB
SCHEMBL932144 0.79 BACE1 (0.46) MAOBMEN1KMT2ACTSDBACE1
SCHEMBL932350 0.76 BACE1 (0.50) CTSDBACE1BACE2ALDH1A1
SCHEMBL932551 0.73 BACE1 (0.40) CTSDBACE1BACE2
SCHEMBL933481 0.72 BACE1 (0.39) MAPTCTSDBACE1RAB9ABACE2
SCHEMBL932682 0.71 BACE1 (0.53) MAOBCTSDBACE1BACE2
SCHEMBL4912050 0.70 BACE1 (0.69) CTSDBACE1BACE2
SCHEMBL8275995 0.68 BACE1 (0.67) CTSDBACE1BACE2
SCHEMBL2281725 0.68 BACE1 (0.44) MAOBMAOACTSDBACE1BACE2

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