SCHEMBL5222594

SCHEMBL5222594

CCn1ncc2c(N3CCCS3(=O)=O)cc(C(=O)O)cc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
PIK3C3 Q8NEB9 3/20 0.35
CTSD P07339 1/20 0.35
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
HTT P42858 1/20 0.35
PTGER3 P43115 6/20 0.35
TP53 P04637 1/20 0.34
HCAR3 P49019 1/20 0.33
MAPT P10636 1/20 0.32
CDK1 P06493 2/20 0.32
CDK2 P24941 2/20 0.32
PTGER1 P34995 1/20 0.32
CDK4 P11802 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
SCHEMBL5222586 0.89 CTSD (0.37) CTSDBACE1BACE2HTTPTGER3
SCHEMBL5218380 0.88 PIK3C3 (0.39) PIK3C3CTSDBACE1BACE2PTGER3
SCHEMBL5220119 0.79 POLB (0.42) POLBPIK3C3CTSDBACE1BACE2
SCHEMBL5218370 0.78 PTGER3 (0.37) CTSDBACE1BACE2PTGER3MAPT
SCHEMBL5219279 0.77 CTSD (0.51) CTSDBACE1BACE2PTGER3
SCHEMBL5221378 0.76 BACE1 (0.55) CTSDBACE1BACE2
SCHEMBL5219134 0.76 POLB (0.39) POLBPIK3C3CTSDBACE1BACE2
SCHEMBL5218338 0.76 POLB (0.46) POLBCTSDBACE1BACE2TP53
SCHEMBL5218450 0.73 BACE1 (0.61) CTSDBACE1BACE2
SCHEMBL5217621 0.72 POLB (0.43) POLBPIK3C3CTSDBACE1BACE2

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
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed