SCHEMBL2553306

SCHEMBL2553306

O=CC=Cc1cc(Cl)cc(Br)c1O

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 0.68
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
AMY1A P0DUB6 3/20 0.39
CDK4 P11802 2/20 0.39
CCND1 P24385 2/20 0.39
MAPT P10636 4/20 0.38
GABBR2 O75899 1/20 0.35
GABBR1 Q9UBS5 1/20 0.35
XDH P47989 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 1/20 0.34
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
BACE1 P56817 1/20 0.33

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
SCHEMBL2553288 1.00 ERN1 (0.68) ERN1MEN1KMT2AAMY1ACDK4
SCHEMBL2558972 0.81 ERN1 (0.66) ERN1MEN1KMT2AAMY1ACDK4
SCHEMBL2555939 0.81 ERN1 (0.66) ERN1MEN1KMT2ACDK4CCND1
SCHEMBL2558975 0.81 ERN1 (0.66) ERN1MEN1KMT2AAMY1ACDK4
SCHEMBL2555943 0.81 ERN1 (0.66) ERN1MEN1KMT2ACDK4CCND1
SCHEMBL264863 0.81 ERN1 (1.00) ERN1MEN1KMT2AMAPTKDM4E
SCHEMBL29852592 0.81 ERN1 (1.00) ERN1MEN1KMT2AMAPTKDM4E
SCHEMBL3282617 0.77 ERN1 (0.61) ERN1MEN1KMT2AMAPTKDM4E
SCHEMBL3282608 0.77 ERN1 (0.61) ERN1MEN1KMT2AMAPTKDM4E
SCHEMBL2559938 0.75 MAPT (0.45) ERN1MEN1KMT2ACDK4CCND1

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