SCHEMBL3395536

SCHEMBL3395536

O[C@@H]1[C@@H](O)[C@H](Oc2cnccc2Br)SC[C@H]1O

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.30
CHUK O15111 1/20 0.30

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
SCHEMBL3395540 1.00 IKBKB (0.30) IKBKBCHUK
SCHEMBL1974035 0.83 CHRNB2 (0.35)
SCHEMBL1974038 0.83 CHRNB2 (0.35)
SCHEMBL315521 0.82 CYP1A2 (0.31)
SCHEMBL315520 0.82 CYP1A2 (0.31)
SCHEMBL315266 0.80 HPGDS (0.37)
SCHEMBL315265 0.80 HPGDS (0.37)
SCHEMBL1973673 0.80 MGLL (0.37)
SCHEMBL1971942 0.80 HTT (0.33)
SCHEMBL1973672 0.80 MGLL (0.37)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066683-B1 DERIVATIVES OF 5-THIOXYLOPYRANOSE AND USE OF SAME FOR TREATMENT FOURNIER LAB SA (FR) 2010-11-03 EP disclosed
EP-2066683-A1 DERIVATIVES OF 5-THIOXYLOPYRANOSE AND USE OF SAME FOR TREATMENT LABORATOIRES FOURNIER SA (FR) 2009-06-10 EP disclosed
WO-2008037922-A1 DERIVATIVES OF 5-THIOXYLOPYRANOSE AND USE OF SAME FOR TREATMENT LABORATOIRES FOURNIER S.A. (FR) 2008-04-03 WO disclosed