SCHEMBL3401266

SCHEMBL3401266

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2cncc(-c3cnccc3C)c2)SC[C@H]1OC(C)=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 13/20 0.35
CYP11B2 P19099 5/20 0.35
CYP11B1 P15538 3/20 0.35
SLC22A12 Q96S37 1/20 0.34
KIT P10721 1/20 0.34
PDGFRA P16234 1/20 0.34
CYP1A2 P05177 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL314332 1.00 ABL1 (0.35) ABL1CYP11B2CYP11B1SLC22A12KIT
SCHEMBL3395304 0.92 ABL1 (0.35) ABL1SLC22A12
SCHEMBL314154 0.92 ABL1 (0.35) ABL1SLC22A12
SCHEMBL2409998 0.90 PRMT5 (0.37) ABL1CYP11B2CYP11B1KITPDGFRA
SCHEMBL2409995 0.90 PRMT5 (0.37) ABL1CYP11B2CYP11B1KITPDGFRA
SCHEMBL3398727 0.88 ABL1 (0.34) ABL1CYP11B2SLC22A12
SCHEMBL316221 0.88 ABL1 (0.34) ABL1CYP11B2SLC22A12
SCHEMBL314631 0.87 MKNK1 (0.34) CYP11B2CYP11B1
SCHEMBL314632 0.87 MKNK1 (0.34) CYP11B2CYP11B1
SCHEMBL315649 0.85 CHRNB1 (0.37) ABL1CYP11B2CYP11B1

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