SCHEMBL2555642

SCHEMBL2555642

N#CCCNC(=O)COc1cccc(C=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
PPARG P37231 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
NCOA2 Q15596 1/20 0.46
NCOA1 Q15788 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NR2E3 Q9Y5X4 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
MAOA P21397 7/20 0.44
MAOB P27338 7/20 0.44
ALDH1A1 P00352 2/20 0.43
SRC P12931 1/20 0.43
HSD17B10 Q99714 1/20 0.42
GUSB P08236 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL29954369 0.87 MAOA (0.46) HTTKMT2AMAOAMAOBALDH1A1
SCHEMBL2559592 0.84 ALDH1A1 (0.52) MEN1PPARGHTTKMT2ANCOA2
SCHEMBL2559020 0.83 ALDH1A1 (0.57) MEN1PPARGHTTKMT2ANCOA2
SCHEMBL13932642 0.82 UNG (0.54) MEN1PPARGHTTKMT2ANCOA2
SCHEMBL29957242 0.81 TSHR (0.56) MEN1PPARGHTTKMT2ANCOA2
SCHEMBL2560146 0.81 HPGD (0.61) MEN1PPARGHTTKMT2ANCOA2
SCHEMBL29952545 0.80 ALDH1A1 (0.60) HTTMAOAMAOBALDH1A1SRC
SCHEMBL15330338 0.80 HTT (0.56) MEN1PPARGHTTKMT2ANCOA2
SCHEMBL2560052 0.80 MAOA (0.46) MEN1PPARGHTTKMT2ANCOA2
SCHEMBL2654732 0.79 MAOA (0.51) MEN1KMT2AMAOAMAOBALDH1A1

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