SCHEMBL5220176

SCHEMBL5220176

Cc1c(C(=O)O)cc([N+](=O)[O-])c(C)c1NS(=O)(=O)CCCCCl

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
SLC25A1 P53007 1/20 0.35
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL5220170 0.73 ALDH1A1 (0.44) MAPTPOLB
SCHEMBL5222330 0.70 ALDH1A1 (0.45) MAPTPOLB
SCHEMBL5219656 0.69 ALDH1A1 (0.42) TSHRMAPTPOLBL3MBTL1
SCHEMBL6727081 0.68 TSHR (0.56) TSHRMAPTPOLBL3MBTL1
SCHEMBL5222223 0.67 MAPT (0.38) TSHRGAAMAPT
SCHEMBL5218309 0.66 VCAM1 (0.42) MAPTPOLB
SCHEMBL29634343 0.66 TSHR (0.53) TSHRPOLBL3MBTL1
SCHEMBL11756245 0.66 TSHR (0.53) TSHRPOLBL3MBTL1
SCHEMBL4581662 0.66 TSHR (0.53) TSHRMAPTPOLBL3MBTL1
SCHEMBL31636358 0.64 TSHR (0.56) TSHRL3MBTL1

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