SCHEMBL2560769

SCHEMBL2560769

CN(CCOc1ccc(B(O)O)cc1)CC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ENPP2 Q13822 1/20 0.40
ATM Q13315 1/20 0.39
FDPS P14324 2/20 0.39
TSHR P16473 1/20 0.38
DRD2 P14416 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
LTA4H P09960 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
MGLL Q99685 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
SCHEMBL15329634 0.83 ENPP2 (0.45) KCNH2ENPP2FDPSTSHRCHRNB2
SCHEMBL1020230 0.79 HRH3 (0.58) KCNH2CA1CA2ENPP2DRD2
SCHEMBL2555790 0.77 LPL (0.45) KCNH2CA1CA2LTA4HMGLL
SCHEMBL2556749 0.77 KCNH2 (0.43) KCNH2CA1CA2ENPP2FDPS
SCHEMBL2557697 0.77 FDPS (0.47) KCNH2CA1CA2ENPP2FDPS
SCHEMBL5637547 0.74 KDM4E (0.62) CA1CA2ENPP2HRH3KEAP1
SCHEMBL2555765 0.73 LSS (0.46) KCNH2CA1CA2ENPP2TSHR
SCHEMBL29957821 0.73 EBP (0.61) KCNH2HRH3LTA4H
SCHEMBL2563877 0.72 MGLL (0.52) CA1CA2ENPP2MGLL
SCHEMBL29954450 0.72 BCHE (0.48) CA1CA2ENPP2LTA4H

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