SCHEMBL2553217

SCHEMBL2553217

Cc1nn(CC(C)C(N)=O)c(C)c1C=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 3/20 0.49
LMNA P02545 3/20 0.35
POLB P06746 2/20 0.35
GAA P10253 2/20 0.34
ALDH1A1 P00352 2/20 0.33
GRIA1 P42261 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA4 P48058 1/20 0.32
GRIK5 Q16478 1/20 0.32
MAPT P10636 2/20 0.30
HTT P42858 1/20 0.30
DYRK1A Q13627 1/20 0.30
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30

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
SCHEMBL2561808 0.78 LMNA (0.45) APAF1LMNAPOLBGAAALDH1A1
SCHEMBL22412618 0.76 APAF1 (0.37) APAF1ALDH1A1MAPT
SCHEMBL2562153 0.75 SMN1; SMN2 (0.36) LMNAGAAALDH1A1MAPTDYRK1A
SCHEMBL2554897 0.72 HTT (0.59) POLBGAAALDH1A1MAPTHTT
SCHEMBL2560601 0.70 KMO (0.43) APAF1GAAALDH1A1MAPT
SCHEMBL2559171 0.70 HTT (0.44) APAF1LMNAPOLBGAAALDH1A1
SCHEMBL4470702 0.67 ALDH1A1 (0.37) LMNAGAAALDH1A1MAPTNPC1
SCHEMBL2559448 0.67 ALDH1A1 (0.39) LMNAGAAALDH1A1MAPTNPC1
SCHEMBL15332705 0.67 ALDH1A1 (0.39) APAF1LMNAGAAALDH1A1MAPT
SCHEMBL15330288 0.67 POLB (0.44) LMNAPOLBGAAALDH1A1MAPT

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