SCHEMBL2559296

SCHEMBL2559296

CC(C)(C)OC(=O)NCCC(=O)Nc1cncc(B(O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
SUV39H2 Q9H5I1 2/20 0.41
KDM4E B2RXH2 5/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 2/20 0.40
ABL1 P00519 1/20 0.40
PDGFRB P09619 1/20 0.40
SRC P12931 1/20 0.40
PDGFRA P16234 1/20 0.40
MAPK14 Q16539 1/20 0.40
NAMPT P43490 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL16670603 0.84 NAMPT (0.46) CA1MAPK14NAMPT
SCHEMBL4167491 0.83 CA1 (0.46) CA1CA2SUV39H2KDM4EPOLB
SCHEMBL3081630 0.77 NAMPT (0.61) CA1CA2POLBCYP3A4NAMPT
SCHEMBL8692897 0.77 CA1 (0.66) CA1CA2SUV39H2KDM4EPOLB
SCHEMBL3804409 0.76 PRMT5 (0.44) CA1CA2SUV39H2KDM4EPOLB
SCHEMBL16389272 0.76 CA1 (0.70) CA1CA2CYP3A4TDP1ALDH1A1
SCHEMBL29953747 0.75 DYRK1A (0.47) KDM4ECYP3A4NAMPTL3MBTL1TDP1
SCHEMBL13858800 0.75 DYRK1A (0.47) KDM4ECYP3A4NAMPTL3MBTL1TDP1
SCHEMBL13936405 0.74 CA1 (0.49) CA1CA2SUV39H2KDM4EPOLB
SCHEMBL6274441 0.73 CA1 (0.58) CA1CA2CYP3A4NAMPTL3MBTL1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed