SCHEMBL814057

SCHEMBL814057

CC1CCCCC1/N=C/c1nc2c(-c3ccccc3)ccc(-c3ccccc3)c2n1C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 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
SCHEMBL813856 0.86 LMNA (0.35) HRH4ADORA3ADORA2AADORA2BADORA1
SCHEMBL813990 0.85 LMNA (0.37) ADORA3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL813775 0.83 BACE1 (0.34) HRH4ALDH1A1POLB
SCHEMBL12460048 0.77 RAB9A (0.35) HRH4L3MBTL1ADORA2AADORA2BALDH1A1
SCHEMBL814204 0.75 KDM4E (0.54) L3MBTL1ALDH1A1POLB
SCHEMBL814526 0.74 MAPT (0.36) HRH4L3MBTL1ALDH1A1POLB
SCHEMBL814380 0.74 ADORA3 (0.33) L3MBTL1ADORA3ADORA2AADORA2BADORA1
SCHEMBL813953 0.73 MEN1 (0.35) HRH4ALDH1A1POLB
SCHEMBL814053 0.72 ALDH1A1 (0.33) HRH4ADORA2BALDH1A1POLB
SCHEMBL814189 0.72 KDM4E (0.31) HRH4ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603957-B1 POLYMERISATION AND OLIGOMERISATION CATALYSTS INEOS SALES UK LTD (GB) 2015-10-28 EP disclosed
EP-1789459-B1 POLYOLEFINS INEOS SALES UK LTD (GB) 2014-04-30 EP disclosed
US-8067328-B2 Polymerisation and oligomerisation catalysts INEOS EUROPE LIMITED (GB) 2011-11-29 US disclosed
US-7989565-B2 Polyolefins INEOS EUROPE LIMITED (GB) 2011-08-02 US disclosed
US-7989565-B2 Polyolefins INEOS EUROPE LIMITED (GB) 2011-08-02 US disclosed
US-20090124487-A1 Polyolefins BARCLAYS BANK PLC (GB) 2009-05-14 US disclosed
US-20090124487-A1 Polyolefins BARCLAYS BANK PLC (GB) 2009-05-14 US disclosed
US-20070207918-A1 Polymerisation and Oligomerisation Catalysts INEOS SALES (UK) LIMITED (GB) 2007-09-06 US disclosed
US-20070207918-A1 Polymerisation and Oligomerisation Catalysts INEOS SALES (UK) LIMITED (GB) 2007-09-06 US disclosed
US-7229943-B2 Polymerisation and oligomerisation catalysts INNOVENE EUROPE LIMITED (GB) 2007-06-12 US disclosed
US-7229943-B2 Polymerisation and oligomerisation catalysts INNOVENE EUROPE LIMITED (GB) 2007-06-12 US disclosed