SCHEMBL2561445

SCHEMBL2561445

CC1CCN(CCOc2cccc(B(O)O)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.62
HRH3 Q9Y5N1 11/20 0.57
SIGMAR1 Q99720 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL2557377 0.85 KMT2A (0.63) KDM4EHRH3SIGMAR1MEN1KMT2A
SCHEMBL29951665 0.85 LTA4H (0.61) KDM4ELMNAMAPK1HTTSMN1; SMN2
SCHEMBL29957034 0.84 BACE1 (0.62) KDM4EHRH3LMNAMAPK1HTT
SCHEMBL29957497 0.84 BACE1 (0.62) KDM4EHRH3LMNAMAPK1HTT
SCHEMBL2562780 0.84 SIGMAR1 (0.66) KDM4EHRH3SIGMAR1KMT2A
SCHEMBL2555039 0.82 KDM4E (0.60) KDM4EMEN1KMT2ALMNAMAPK1
SCHEMBL3209535 0.80 KDM4E (0.62) KDM4EHRH3SIGMAR1MEN1KMT2A
SCHEMBL5388793 0.79 HRH3 (0.71) KDM4EHRH3SIGMAR1LMNASMN1; SMN2
SCHEMBL2821196 0.79 KDM4E (0.62) KDM4EHRH3MEN1KMT2ASMN1; SMN2
SCHEMBL2558114 0.78 LTA4H (0.49) KDM4EMEN1KMT2ALMNAMAPK1

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