SCHEMBL3397066

SCHEMBL3397066

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2cncc(-c3ccc(F)nc3)c2)SC[C@H]1OC(C)=O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.32
F2R P25116 1/20 0.32
CYP11B1 P15538 2/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
CSNK1D P48730 1/20 0.31
CSNK1E P49674 1/20 0.31
DYRK1A Q13627 2/20 0.31
NTMT1 Q9BV86 1/20 0.31
GSK3B P49841 1/20 0.30
INPPL1 O15357 2/20 0.30
PIK3CG P48736 1/20 0.30
CHRNB1 P11230 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNB3 Q05901 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
SCHEMBL314556 1.00 CYP11B2 (0.32) CYP11B2F2RCYP11B1MKNK1MKNK2
SCHEMBL3399023 0.89 CYP11B2 (0.32) CYP11B2F2RCYP11B1MKNK1MKNK2
SCHEMBL316078 0.89 CYP11B2 (0.32) CYP11B2F2RCYP11B1MKNK1MKNK2
SCHEMBL2416421 0.89 F2R (0.39) F2RNTMT1
SCHEMBL2416424 0.89 F2R (0.39) F2RNTMT1
SCHEMBL314909 0.88 MKNK1 (0.36) CYP11B2CYP11B1MKNK1MKNK2PIK3CG
SCHEMBL3393977 0.88 PIK3C3 (0.31) CYP11B2CYP11B1DYRK1AGSK3B
SCHEMBL314743 0.88 PIK3C3 (0.31) CYP11B2CYP11B1DYRK1AGSK3B
SCHEMBL3401178 0.88 MKNK1 (0.36) CYP11B2CYP11B1MKNK1MKNK2PIK3CG
SCHEMBL3400937 0.87 CYP11B2 (0.34) CYP11B2CYP11B1DYRK1APIK3CG

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