SCHEMBL2557282

SCHEMBL2557282

O=Cc1c(Cl)nn(-c2ccccc2Br)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.35
MAPT P10636 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
KDM4E B2RXH2 1/20 0.34
OPRM1 P35372 1/20 0.34
HCAR1 Q9BXC0 4/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
JAK2 O60674 1/20 0.30
PKM P14618 1/20 0.30
MCOLN3 Q8TDD5 1/20 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
SCHEMBL15331216 0.85 OPRM1 (0.43) MAPTNPSR1KDM4EOPRM1ALDH1A1
SCHEMBL15333179 0.84 SMN1; SMN2 (0.43) MGLLMAPTNPSR1KDM4EOPRM1
SCHEMBL15331268 0.81 MGLL (0.31) MGLLOPRM1HCAR1
SCHEMBL15329636 0.81 MEN1 (0.34) MGLLMAPTNPSR1OPRM1HCAR1
SCHEMBL15330539 0.81 OPRM1 (0.33) MGLLMAPTNPSR1KDM4EOPRM1
SCHEMBL15330838 0.81 NPSR1 (0.35) MGLLMAPTNPSR1OPRM1HCAR1
SCHEMBL15330119 0.81 KMT2A (0.42) MGLLMAPTNPSR1KDM4EHCAR1
SCHEMBL15332122 0.79 NPC1 (0.34) NPSR1OPRM1GSK3AGSK3BALDH1A1
SCHEMBL2560316 0.78 PDE4A (0.36) MAPTNPSR1OPRM1GSK3AGSK3B
SCHEMBL15332955 0.78 ALDH1A1 (0.37) MAPTKDM4EHCAR1ALDH1A1MEN1

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