SCHEMBL5013427

SCHEMBL5013427

[CH2]OCC(CC)c1cscn1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TSHR P16473 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
SCHEMBL5013430 0.84 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL4967154 0.83 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL2089735 0.79 ALDH1A1 (0.34) ALDH1A1TSHR
SCHEMBL26526887 0.77 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL23395171 0.74 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL2207385 0.68
SCHEMBL23565497 0.67 CA2 (0.34) ALDH1A1TSHR
SCHEMBL18995879 0.67 CA2 (0.34) ALDH1A1TSHR
SCHEMBL16313108 0.63 ALDH1A1 (0.37) ALDH1A1TSHR
SCHEMBL27880668 0.63 TSHR (0.33) TSHR

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-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed