SCHEMBL3398348

SCHEMBL3398348

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2cncc(-c3ncccc3Cl)c2)SC[C@H]1OC(C)=O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.33
SCN5A Q14524 1/20 0.30
SCN9A Q15858 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
SCHEMBL314808 1.00 CYP11B2 (0.33) CYP11B2SCN5ASCN9A
SCHEMBL315550 0.90 CYP2A6 (0.36)
SCHEMBL3400490 0.90 CYP2A6 (0.36)
SCHEMBL2409554 0.89 RORB (0.35) SCN5ASCN9A
SCHEMBL2409549 0.89 RORB (0.35) SCN5ASCN9A
SCHEMBL3395741 0.87 ABL1 (0.32) CYP11B2
SCHEMBL314759 0.87 ABL1 (0.32) CYP11B2
SCHEMBL314162 0.86 DGAT2 (0.32)
SCHEMBL314163 0.86 DGAT2 (0.32)
SCHEMBL315649 0.85 CHRNB1 (0.37) CYP11B2

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-2066683-B1 DERIVATIVES OF 5-THIOXYLOPYRANOSE AND USE OF SAME FOR TREATMENT FOURNIER LAB SA (FR) 2010-11-03 EP disclosed