SCHEMBL1304191

SCHEMBL1304191

[N]=Nc1ccc(N=[N])cc1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL54674 0.81
SCHEMBL2555423 0.78 ALDH1A1 (0.67) POLBMEN1NPC1MAPTRAB9A
SCHEMBL8587965 0.76 PLAU (0.52) MAPTSMN1; SMN2TDP1L3MBTL1
SCHEMBL4450586 0.75
SCHEMBL7787732 0.74 TSHR (0.60) POLBMEN1NPC1MAPTKMT2A
SCHEMBL8588833 0.72 LPL (0.45) L3MBTL1
SCHEMBL5664827 0.72 POLB (0.57) POLBMEN1KMT2ASMN1; SMN2TDP1
Fluoride Ion SCHEMBL73611 0.43
SCHEMBL28277758 0.43
SCHEMBL7618349 0.43

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716153-B1 METHODS, COMPOSITIONS, AND APPARATUSES FOR FORMING MACROCYCLIC COMPOUNDS JOHNSON THOMAS E (US) 2013-10-09 EP disclosed
US-20120157658-A1 METHODS, COMPOSITIONS, AND APPARATUSES FOR FORMING MACROCYCLIC COMPOUNDS JOHNSON THOMAS E (US) 2012-06-21 US disclosed
US-8053571-B2 Methods, compositions, and apparatuses for forming macrocyclic compounds JOHNSON THOMAS E 2011-11-08 US disclosed
US-20100216970-A1 METHODS, COMPOSITIONS, AND APPARATUSES FOR FORMING MACROCYCLIC COMPOUNDS JOHNSON THOMAS E 2010-08-26 US disclosed
US-7709632-B2 such as porphyrins, chlorins, texaphyrins via cyclization, oligomerization JOHNSON THOMAS E 2010-05-04 US disclosed
US-20070217965-A1 Methods, compositions, and apparatuses for forming macrocyclic compounds JOHNSON THOMAS E 2007-09-20 US disclosed