SCHEMBL3400655

SCHEMBL3400655

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2cncc(-c3cccnc3F)c2)SC[C@H]1OC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.36
CHRNA6 Q15825 1/20 0.36
CYP11B2 P19099 2/20 0.33
CYP11B1 P15538 1/20 0.33
ABL1 P00519 2/20 0.33
MAPT P10636 2/20 0.32
GSK3B P49841 1/20 0.31
GRM5 P41594 2/20 0.31
PDE10A Q9Y233 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
SCHEMBL315735 1.00 CHRNB2 (0.36) CHRNB2CHRNA6CYP11B2CYP11B1ABL1
SCHEMBL3400440 0.92 ABL1 (0.36) CHRNB2CYP11B2ABL1PDE10A
SCHEMBL315015 0.92 ABL1 (0.36) CHRNB2CYP11B2ABL1PDE10A
SCHEMBL3395741 0.89 ABL1 (0.32) CHRNB2CYP11B2ABL1PDE10A
SCHEMBL314759 0.89 ABL1 (0.32) CHRNB2CYP11B2ABL1PDE10A
SCHEMBL2415462 0.89 PRMT5 (0.36) GSK3BGRM5
SCHEMBL2415464 0.89 PRMT5 (0.36) GSK3BGRM5
SCHEMBL3395247 0.88 ABL1 (0.43) ABL1PDE10A
SCHEMBL314697 0.88 ABL1 (0.43) ABL1PDE10A
SCHEMBL314162 0.86 DGAT2 (0.32)

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