SCHEMBL5762912

SCHEMBL5762912

CN(c1ncc(-c2cc(Cl)ccc2OCC(=O)O)cn1)[S+](C)[O-]

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 16/20 0.56
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 1/20 0.45
MAPT P10636 1/20 0.43

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
SCHEMBL1753343 0.86 PTGDR2 (0.64) PTGDR2TDP1TSHRMAPT
SCHEMBL5762743 0.84 PTGDR2 (0.56) PTGDR2TDP1TSHR
SCHEMBL1690231 0.81 PTGDR2 (0.57) PTGDR2TDP1TSHR
SCHEMBL1690265 0.78 PTGDR2 (0.68) PTGDR2TDP1TSHRMAPT
SCHEMBL1753408 0.77 PTGDR2 (0.64) PTGDR2TDP1TSHRMAPT
SCHEMBL1753770 0.76 PTGDR2 (0.70) PTGDR2TDP1TSHRMAPT
SCHEMBL1690311 0.76 PTGDR2 (0.59) PTGDR2TDP1TSHR
SCHEMBL1753571 0.74 PTGDR2 (0.57) PTGDR2TDP1
SCHEMBL2102248 0.74 PTGDR2 (0.60) PTGDR2TDP1TSHRMAPT
SCHEMBL5173326 0.74 PTGDR2 (0.60) PTGDR2TDP1TSHRMAPT

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
EP-1611091-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2006-01-04 EP disclosed
WO-2004089885-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2004-10-21 WO disclosed