SCHEMBL813864

SCHEMBL813864

CC(C)c1cccc(C(C)C)c1/N=C/c1nc2c(-c3ccccc3)ccc(-c3ccccc3)c2[nH]1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RARA P10276 1/20 0.34
ADORA3 P0DMS8 2/20 0.34
ADORA2A P29274 2/20 0.34
ADORA2B P29275 2/20 0.34
ADORA1 P30542 2/20 0.34
KDM4E B2RXH2 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
SCHEMBL814054 0.81 CNR2 (0.33)
SCHEMBL813926 0.80 ADORA3 (0.36) ADORA3ADORA2AADORA2BADORA1KDM4E
SCHEMBL814113 0.80 PSMB5 (0.36) ADORA3ADORA2AADORA1KDM4E
SCHEMBL814162 0.79 MAPT (0.38) ADORA3ADORA2AADORA1KDM4E
SCHEMBL12460354 0.78 RAB9A (0.36) ADORA3ADORA2AADORA2BADORA1
SCHEMBL813984 0.78 ADORA3 (0.36) ADORA3ADORA2AADORA2BADORA1KDM4E
SCHEMBL813989 0.77 NPC1 (0.34) ADORA3ADORA2AADORA1KDM4E
SCHEMBL814050 0.77 MAPT (0.44) ADORA3ADORA2AADORA2BADORA1KDM4E
SCHEMBL814386 0.77 NPC1 (0.36) ADORA3ADORA2AADORA2BADORA1
SCHEMBL813790 0.77 MAPT (0.38) ADORA3ADORA2AADORA1KDM4E

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-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-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