SCHEMBL813809

SCHEMBL813809

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.35
ADORA2A P29274 4/20 0.35
ADORA1 P30542 4/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR2 P34972 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
ADORA2B P29275 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
SCHEMBL12460354 0.87 RAB9A (0.36) ADORA3ADORA2AADORA1NPC1MAPT
SCHEMBL814650 0.85
SCHEMBL814354 0.81 ALDH1A1 (0.44) ADORA3ADORA2AADORA1MAPTCNR2
SCHEMBL813926 0.81 ADORA3 (0.36) ADORA3ADORA2AADORA1MAPTADORA2B
SCHEMBL814162 0.80 MAPT (0.38) ADORA3ADORA2AADORA1MEN1NPC1
SCHEMBL813984 0.78 ADORA3 (0.36) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL813989 0.78 NPC1 (0.34) ADORA3ADORA2AADORA1MEN1NPC1
SCHEMBL814386 0.77 NPC1 (0.36) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL814050 0.77 MAPT (0.44) ADORA3ADORA2AADORA1MAPTADORA2B
SCHEMBL813936 0.77 ADORA3 (0.39) ADORA3ADORA2AADORA1ADORA2B

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