SCHEMBL814050

SCHEMBL814050

CC(/N=C/c1nc2c(-c3ccccc3)ccc(-c3ccccc3)c2[nH]1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
RECQL P46063 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
ADORA3 P0DMS8 4/20 0.34
ADORA2A P29274 4/20 0.34
ADORA1 P30542 4/20 0.34
ADORA2B P29275 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 1/20 0.32
MET P08581 1/20 0.31

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
SCHEMBL813926 0.88 ADORA3 (0.36) MAPTKDM4EADORA3ADORA2AADORA1
SCHEMBL813984 0.86 ADORA3 (0.36) KDM4EADORA3ADORA2AADORA1ADORA2B
SCHEMBL813936 0.85 ADORA3 (0.39) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL814386 0.82 NPC1 (0.36) ALDH1A1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL12460354 0.81 RAB9A (0.36) MAPTGAAADORA3ADORA2AADORA1
SCHEMBL814102 0.80 ADORA3 (0.30) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL813809 0.77 ADORA3 (0.35) MAPTADORA3ADORA2AADORA1ADORA2B
SCHEMBL813790 0.77 MAPT (0.38) MAPTALDH1A1HPGDKDM4EPOLB
SCHEMBL814162 0.77 MAPT (0.38) MAPTALDH1A1HPGDKDM4EUSP2
SCHEMBL813864 0.77 RARA (0.34) KDM4EADORA3ADORA2AADORA1ADORA2B

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