SCHEMBL2559394

SCHEMBL2559394

O=C1c2cc(B(O)O)ccc2CN1CCO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
PARP1 P09874 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
PRF1 P14222 1/20 0.36
ITGB3 P05106 5/20 0.34
ITGA2B P08514 5/20 0.34
ITGA2 P17301 2/20 0.34
HDAC1 Q13547 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
DRD5 P21918 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
SCHEMBL2559421 0.88 PRF1 (0.43) KDM4EALDH1A1HPGDALOX15TSHR
SCHEMBL29956886 0.87 ALDH1A1 (0.42) KDM4EALDH1A1HPGDALOX15TSHR
SCHEMBL29955852 0.84 ACACB (0.43) KDM4EALDH1A1HPGDALOX15TSHR
SCHEMBL29953994 0.81 KDM4E (0.37) KDM4EALDH1A1HPGDALOX15TSHR
SCHEMBL29370739 0.79 PARP1 (0.46) KDM4EALDH1A1HPGDALOX15TSHR
SCHEMBL9375600 0.79 ADAM17 (0.46) KDM4EALDH1A1HPGDALOX15TSHR
SCHEMBL13091171 0.79 KDM4E (0.45) KDM4EALDH1A1HPGDALOX15TSHR
SCHEMBL2627990 0.78 DDB1 (0.44) KDM4EALDH1A1HPGDPARP1PRF1
SCHEMBL29956413 0.75 LMNA (0.42) KDM4EALDH1A1ALOX15TSHRSIRT1
SCHEMBL9466888 0.74 KDM4E (0.69) KDM4EALDH1A1HPGDALOX15TSHR

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