SCHEMBL2554624

SCHEMBL2554624

CNC(=O)CN(C)c1ccc(C=O)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 3/20 0.35
PPARD Q03181 1/20 0.34
NOTUM Q6P988 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
TSHR P16473 1/20 0.33
BRD4 O60885 3/20 0.32
GAA P10253 1/20 0.32
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
BRD2 P25440 1/20 0.32
BRD3 Q15059 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL29957388 0.86 ALDH1A1 (0.37) ALDH1A1KDM4EPPARDNOTUML3MBTL1
SCHEMBL15332326 0.85 ALDH1A1 (0.39) ALDH1A1L3MBTL1MEN1HPGDKMT2A
SCHEMBL29957410 0.84 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KDM4EL3MBTL1GAA
SCHEMBL2558806 0.84 BCHE (0.38) ALDH1A1SMN1; SMN2KDM4EL3MBTL1BCHE
SCHEMBL9320257 0.84 CA12 (0.41) ALDH1A1SMN1; SMN2KDM4EPPARDL3MBTL1
SCHEMBL29953800 0.83 MAPT (0.40) ALDH1A1TSHRGAAMEN1MAPT
SCHEMBL2561083 0.82 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2KDM4EPPARDL3MBTL1
SCHEMBL2559648 0.82 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2KDM4EL3MBTL1GAA
SCHEMBL15330459 0.81 HPGD (0.43) KDM4EL3MBTL1TSHRMEN1MAPT
SCHEMBL2555022 0.77 CYP2A6 (0.48) ALDH1A1SMN1; SMN2KDM4EOPRM1OPRL1

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