SCHEMBL2553669

SCHEMBL2553669

Cc1ccc(OCCN2CCCC2)c(B(O)O)c1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.69
KDM4E B2RXH2 6/20 0.56
ALDH1A1 P00352 5/20 0.56
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 3/20 0.53
HTT P42858 3/20 0.53
TSHR P16473 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 1/20 0.53
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47

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
SCHEMBL15330448 0.99 SMN1; SMN2 (0.72) SMN1; SMN2KDM4EALDH1A1TDP1L3MBTL1
SCHEMBL29951058 0.93 KDM4E (0.66) SMN1; SMN2KDM4EALDH1A1L3MBTL1HTT
SCHEMBL2559959 0.87 POLB (0.58) SMN1; SMN2KDM4EALDH1A1L3MBTL1HTT
SCHEMBL2557491 0.84 TDP1 (0.52) SMN1; SMN2KDM4ETDP1HTTTSHR
SCHEMBL14453571 0.83 SMN1; SMN2 (0.97) SMN1; SMN2KDM4EALDH1A1TDP1L3MBTL1
SCHEMBL2562707 0.83 SMN1; SMN2 (0.55) SMN1; SMN2KDM4ETDP1TSHRMEN1
SCHEMBL8351425 0.81 SMN1; SMN2 (0.71) SMN1; SMN2KDM4EALDH1A1TDP1L3MBTL1
SCHEMBL12726118 0.81 SMN1; SMN2 (0.71) SMN1; SMN2KDM4EALDH1A1TDP1L3MBTL1
SCHEMBL763134 0.81 SMN1; SMN2 (0.71) SMN1; SMN2KDM4EALDH1A1TDP1L3MBTL1
SCHEMBL13855799 0.81 SMN1; SMN2 (0.71) SMN1; SMN2KDM4EALDH1A1TDP1L3MBTL1

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