SCHEMBL2556749

SCHEMBL2556749

CC(C)CCN(C)CCOc1ccc(B(O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.43
TDP1 Q9NUW8 1/20 0.41
MAPK1 P28482 2/20 0.41
DRD2 P14416 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ENPP2 Q13822 1/20 0.40
EPHX2 P34913 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
FDPS P14324 2/20 0.39
TSHR P16473 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL2557585 0.83 ENPP2 (0.45) KCNH2MAPK1ENPP2FDPSTSHR
SCHEMBL29953712 0.82 TDP1 (0.59) TDP1MAPK1CA1CA2ENPP2
SCHEMBL17825479 0.81 RARB (0.49) TDP1MAPK1CA1CA2ENPP2
SCHEMBL2555790 0.79 LPL (0.45) KCNH2CA1CA2KDM4E
SCHEMBL2557697 0.79 FDPS (0.47) KCNH2DRD2CA1CA2ENPP2
SCHEMBL1020230 0.79 HRH3 (0.58) KCNH2DRD2CA1CA2ENPP2
SCHEMBL2557938 0.78 TDP1 (0.54) TDP1MAPK1CA1CA2ENPP2
SCHEMBL15329753 0.78 EBP (0.49) KCNH2MEN1KMT2ATSHRHRH3
SCHEMBL2560769 0.77 KCNH2 (0.40) KCNH2DRD2CA1CA2ENPP2
SCHEMBL2560149 0.75 RARB (0.43) TDP1MAPK1CA1CA2ENPP2

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