SCHEMBL15537694

SCHEMBL15537694

c1ccc(-c2ccc3c(c2)N[C@@H]([C@@H]2Nc4cc(-c5ccccc5)ccc4O2)O3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 1.00
▸ MEN1 O00255 3/20 1.00
▸ GAA P10253 3/20 1.00
▸ KMT2A Q03164 3/20 1.00
▸ NPC1 O15118 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ MAOA P21397 2/20 0.39
▸ MAOB P27338 2/20 0.39
▸ ADRA2A P08913 2/20 0.37
▸ ADRA2B P18089 2/20 0.37
▸ ADRA2C P18825 2/20 0.37
▸ HRH3 Q9Y5N1 2/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ ALOX5 P09917 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ TMEM97 Q5BJF2 1/20 0.35
▸ SIGMAR1 Q99720 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
SCHEMBL20211615 1.00 KDM4E (1.00) KDM4EMEN1GAAKMT2ANPC1
SCHEMBL15537736 1.00 KDM4E (1.00) KDM4EMEN1GAAKMT2ANPC1
SCHEMBL8651078 0.73 GAA (0.57) KDM4EMEN1GAAKMT2AMAPT
SCHEMBL22924546 0.72 KDM4E (0.55) KDM4EMEN1GAAKMT2ANPC1
SCHEMBL7000985 0.70 KDM4E (0.54) KDM4EMEN1GAAKMT2ANPC1
SCHEMBL7001705 0.70 PARP1 (0.64) KDM4EMEN1GAAKMT2AMAOA
SCHEMBL24377996 0.67 KMT2A (0.50) KDM4EMEN1GAAKMT2ANPC1
SCHEMBL22902405 0.67 ALOX5 (0.63) KDM4EMEN1GAAKMT2ANPC1
SCHEMBL8470138 0.67 KDM4E (0.52) KDM4EMEN1GAAKMT2ANPC1
SCHEMBL29242170 0.65 KDM4E (0.59) KDM4EMEN1GAAKMT2ANPC1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150337018-A1 USE OF COMPOUNDS THAT SELECTIVELY MODULATE ASTROCYTIC RELEASE OF SUBSTANCES THROUGH HEMICHANNELS OF CONNEXINS AND PANNEXINS, WITHOUT INFLUENCING GAP JUNCTIONS, FOR THE TREATMENT OF PSYCHIATRIC DISORDERS UNIVERSIDAD ANDRES BELLO (CL) 2015-11-26 — — US claimed
EP-2897632-A2 COMPOUNDS MODULATING ASTROCYTIC RELEASE OF SUBSTANCES THROUGH CONNEXINS AND PANNEXINS AND TREATMENT OF PSYCHIATRIC DISORDERS Universidad Andres Bello (CL) 2015-07-29 — — EP claimed
WO-2013179264-A2 USE OF COMPOUNDS THAT SELECTIVELY MODULATE ASTROCYTIC RELEASE OF SUBSTANCES THROUGH HEMICHANNELS OF CONNEXINS AND PANNEXINS, WITHOUT INFLUENCING GAP JUNCTIONS, FOR THE TREATMENT OF PSYCHIATRIC DISORDERS UNIVERSIDAD ANDRES BELLO (CL) 2013-12-05 — — WO claimed
US-9879058-B2 Use of compounds that selectively modulate astrocytic release of substances through hemichannels of connexins and pannexins, without influencing gap junctions, for the treatment of psychiatric disorders UNIVERSIDAD ANDRES BELLO (CL) 2018-01-30 — — US disclosed
US-20150337018-A1 USE OF COMPOUNDS THAT SELECTIVELY MODULATE ASTROCYTIC RELEASE OF SUBSTANCES THROUGH HEMICHANNELS OF CONNEXINS AND PANNEXINS, WITHOUT INFLUENCING GAP JUNCTIONS, FOR THE TREATMENT OF PSYCHIATRIC DISORDERS UNIVERSIDAD ANDRES BELLO (CL) 2015-11-26 — — US disclosed
US-9101573-B2 Lanthionine synthetase component C-like proteins as molecular targets for preventing and treating diseases and disorders VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2015-08-11 — — US disclosed
EP-2897632-A2 COMPOUNDS MODULATING ASTROCYTIC RELEASE OF SUBSTANCES THROUGH CONNEXINS AND PANNEXINS AND TREATMENT OF PSYCHIATRIC DISORDERS Universidad Andres Bello (CL) 2015-07-29 — — EP disclosed
WO-2013179264-A2 USE OF COMPOUNDS THAT SELECTIVELY MODULATE ASTROCYTIC RELEASE OF SUBSTANCES THROUGH HEMICHANNELS OF CONNEXINS AND PANNEXINS, WITHOUT INFLUENCING GAP JUNCTIONS, FOR THE TREATMENT OF PSYCHIATRIC DISORDERS UNIVERSIDAD ANDRES BELLO (CL) 2013-12-05 — — WO disclosed
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