SCHEMBL2560052

SCHEMBL2560052

C#CCNC(=O)COc1cccc(C=O)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.46
MAOB P27338 7/20 0.46
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SRC P12931 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
PPARG P37231 1/20 0.42
HTT P42858 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NR2E3 Q9Y5X4 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42

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) MAOAMAOBRAB9ANPC1TDP1
SCHEMBL29952545 0.85 ALDH1A1 (0.60) MAOAMAOBRAB9ANPC1TDP1
SCHEMBL2556140 0.83 ALDH1A1 (0.58) RAB9ANPC1ALDH1A1KDM4EHTT
SCHEMBL2559020 0.83 ALDH1A1 (0.57) MAOAMAOBRAB9ANPC1TDP1
SCHEMBL15329632 0.82 ALDH1A1 (0.58) MAOAMAOBRAB9ANPC1TDP1
SCHEMBL6541246 0.82 ALDH1A1 (0.60) MAOAMAOBRAB9ANPC1TDP1
SCHEMBL2654732 0.81 MAOA (0.51) MAOAMAOBSRCALDH1A1KMT2A
SCHEMBL29957242 0.81 TSHR (0.56) MAOAMAOBRAB9ANPC1TDP1
SCHEMBL2560146 0.81 HPGD (0.61) RAB9ANPC1TDP1SRCALDH1A1
SCHEMBL2556267 0.80 SMN1; SMN2 (0.61) MAOAMAOBRAB9ANPC1TDP1

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