SCHEMBL3400945

SCHEMBL3400945

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2cc(-c3cccnc3)cnc2F)SC[C@H]1OC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.36
MKNK1 Q9BUB5 7/20 0.36
MKNK2 Q9HBH9 7/20 0.36
JAK2 O60674 2/20 0.35
ABCB1 P08183 5/20 0.33
ABCC1 P33527 3/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
F2R P25116 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
SCHEMBL316049 1.00 CYP11B2 (0.36) CYP11B2MKNK1MKNK2JAK2ABCB1
SCHEMBL314409 0.90 AXL (0.31) PDGFRBPDGFRA
SCHEMBL314410 0.90 AXL (0.31) PDGFRBPDGFRA
SCHEMBL3395477 0.89 JAK2 (0.31) JAK2
SCHEMBL315288 0.89 JAK2 (0.31) JAK2
SCHEMBL2409214 0.88 MKNK1 (0.40) CYP11B2MKNK1MKNK2ABCB1ABCC1
SCHEMBL2409216 0.88 MKNK1 (0.40) CYP11B2MKNK1MKNK2ABCB1ABCC1
SCHEMBL314502 0.88 F2R (0.33) F2R
SCHEMBL314503 0.88 F2R (0.33) F2R
SCHEMBL2408934 0.87 CYP11B2 (0.39) CYP11B2MKNK1MKNK2ABCB1ABCC1

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