SCHEMBL5219381

SCHEMBL5219381

CNc1cc(C(=O)O)cc(N2CCCS2(O)O)c1C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.37
POLB P06746 1/20 0.33
HCAR3 P49019 1/20 0.33
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CTSD P07339 1/20 0.31
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
TPMT P51580 1/20 0.31
TP53 P04637 2/20 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
SCHEMBL5219833 0.88 BACE1 (0.41) GPR35POLBHCAR3GAAMEN1
SCHEMBL5219484 0.84 BACE1 (0.44) GPR35POLBHCAR3GAAMEN1
SCHEMBL5219825 0.76 BACE1 (0.47) GPR35POLBHCAR3GAACTSD
SCHEMBL5218045 0.75 CTSD (0.42) HCAR3GAAMEN1KMT2ACTSD
SCHEMBL5219490 0.73 BACE1 (0.50) POLBGAACTSDBACE1BACE2
SCHEMBL5218025 0.72 BACE1 (0.41) POLBGAAMEN1KMT2ACTSD
SCHEMBL5220759 0.72 BACE1 (0.45) POLBHCAR3GAAMEN1KMT2A
SCHEMBL5219772 0.71 KDM4E (0.47) GAAKMT2A
SCHEMBL5219330 0.71 POLB (0.30) POLB
SCHEMBL5224501 0.70 POLB (0.36) POLB

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