Dioxane

Dioxane

SCHEMBL5152345

C1COCCO1.N[C@@H]1CCCC[C@H]1N

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.67
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
TTR P02766 1/20 0.40
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.31
MAPT P10636 2/20 0.30
NPSR1 Q6W5P4 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MCOLN3 Q8TDD5 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
SCHEMBL5152338 0.88 THRB (0.59) THRBMEN1KMT2AALDH1A1
SCHEMBL29582773 0.82
SCHEMBL29457 0.82
SCHEMBL73950 0.82
SCHEMBL73951 0.82
SCHEMBL1155588 0.82 THRB (1.00) THRBMEN1KMT2AALDH1A1TSHR
SCHEMBL1107195 0.82
SCHEMBL358444 0.82
SCHEMBL354568 0.82
Ammonia Solution, Strong SCHEMBL9478481 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742634-A1 POLYCYCLIC PYRIMIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAgen, Incorporated (US) 2007-01-17 EP disclosed
EP-1742935-A1 POLYCYCLIC PYRAZINES AS POTASSIUM ION CHANNEL MODULATORS Icagen, Inc. (US) 2007-01-17 EP disclosed
EP-1740155-A1 POLYCYLIC THIAZOLES AS POTASSIUM ION CHANNEL MODULATORS Icagen, Inc. (US) 2007-01-10 EP disclosed
EP-1737852-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS Icagen, Inc. (US) 2007-01-03 EP disclosed
WO-2005121126-A1 POLYCYCLIC PYRAZINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN, INC. (US) 2005-12-22 WO disclosed
WO-2005099673-A1 POLYCYLIC THIAZOLES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN, INC. (US) 2005-10-27 WO disclosed
WO-2005099711-A1 POLYCYCLIC PYRIMIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN, INC. (US) 2005-10-27 WO disclosed
WO-2005100349-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN, INC. (US) 2005-10-27 WO disclosed