SCHEMBL2557571

SCHEMBL2557571

OB(O)c1cncc(N2CCC(O)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 1/20 0.43
CLK3 P49761 1/20 0.43
DYRK1A Q13627 1/20 0.43
SMPD3 Q9NY59 2/20 0.40
MAPT P10636 1/20 0.39
PTPN11 Q06124 1/20 0.37
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
HTR1A P08908 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMO Q99835 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
SCHEMBL29951800 0.83 CYP11B1 (0.40) SMPD3MAPTKDM4EMEN1ALDH1A1
SCHEMBL29950943 0.81 CYP11B1 (0.39) SMPD3MAPTKDM4EMEN1ALDH1A1
Lithium Ion SCHEMBL21331038 0.80 CYP11B1 (0.38) SMPD3MAPTKDM4EMEN1ALDH1A1
SCHEMBL29953385 0.79 ALDH1A1 (0.40) SMPD3MAPTKDM4EMEN1ALDH1A1
SCHEMBL3507090 0.77 MEN1 (0.60) CLK2CLK3DYRK1ASMPD3MAPT
SCHEMBL29377211 0.71 MAPT (0.44) SMPD3MAPTPTPN11KDM4EKMT2A
SCHEMBL21916945 0.71 MAPT (0.44) SMPD3MAPTPTPN11KDM4EKMT2A
SCHEMBL22616940 0.69 CLK2 (0.44) CLK2CLK3DYRK1ASMPD3MEN1
SCHEMBL2559839 0.69 PDE10A (0.42) SMPD3MEN1CYP1A2KMT2APIM2
SCHEMBL18150782 0.68 SMO (0.40) SMPD3MAPTKDM4ECYP2C19SMO

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