SCHEMBL2558098

SCHEMBL2558098

O=C1c2cccc(B(O)O)c2CN1CCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
HEXA P06865 1/20 0.39
HEXB P07686 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
DHPS P49366 2/20 0.37
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
AVPR1A P37288 1/20 0.36
RAB9A P51151 1/20 0.36
DPP4 P27487 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTT P42858 2/20 0.34
LMNA P02545 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
SCHEMBL29954152 0.88 HTT (0.43) PARP1PARP2HRH3KDM4EALOX15
SCHEMBL29957027 0.85 HTT (0.44) HRH3DHPSMAPTMEN1KMT2A
SCHEMBL29956559 0.81 HRH3 (0.40) HRH3KDM4EALOX15TSHRSIRT1
SCHEMBL29951975 0.80 POLB (0.38) PARP1MEN1KMT2AHTTLMNA
SCHEMBL2558999 0.77 PARP1 (0.60) PARP1PARP2ALOX15KMT2ANPSR1
SCHEMBL29951234 0.73 NOTUM (0.45) KDM4EMEN1KMT2AHTT
SCHEMBL29951946 0.73 IDH1 (0.44) KDM4EALOX15TSHRMEN1KMT2A
SCHEMBL29951915 0.72 UGCG (0.58) MEN1KMT2ANPC1RAB9AHTT
SCHEMBL9466888 0.71 KDM4E (0.69) PARP1PARP2KDM4EALOX15TSHR
SCHEMBL5637049 0.71 KDM4E (0.69) PARP1PARP2KDM4EALOX15TSHR

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