SCHEMBL2554897

SCHEMBL2554897

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

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.59
POLB P06746 2/20 0.59
ATM Q13315 2/20 0.47
TP53 P04637 2/20 0.46
ALDH1A1 P00352 2/20 0.38
THRB P10828 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
CHRM5 P08912 1/20 0.36
CHRM3 P20309 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL2559016 0.89 HTT (0.47) HTTPOLBATMTP53ALDH1A1
SCHEMBL15330288 0.86 POLB (0.44) HTTPOLBATMTP53ALDH1A1
SCHEMBL2559171 0.86 HTT (0.44) HTTPOLBATMTP53ALDH1A1
SCHEMBL2562893 0.83 RAB9A (0.48) HTTPOLBATMALDH1A1GAA
SCHEMBL15332321 0.81 GAA (0.41) HTTPOLBATMTP53ALDH1A1
SCHEMBL15229836 0.79 HTT (0.62) HTTPOLBATMTP53ALDH1A1
SCHEMBL2556249 0.78 TSHR (0.42) HTTPOLBATMTP53ALDH1A1
SCHEMBL2559562 0.78 KMT2A (0.49) POLBKMT2AL3MBTL1GAAMAPT
SCHEMBL15331246 0.77 KMT2A (0.43) TP53ALDH1A1THRBKMT2AMAPT
SCHEMBL15330117 0.77 GAA (0.38) HTTPOLBATMALDH1A1L3MBTL1

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