SCHEMBL814386

SCHEMBL814386

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

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ADORA3 P0DMS8 5/20 0.36
ADORA2A P29274 5/20 0.36
ADORA1 P30542 5/20 0.36
ADORA2B P29275 3/20 0.36
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL813926 0.85 ADORA3 (0.36) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL813984 0.83 ADORA3 (0.36) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL813936 0.82 ADORA3 (0.39) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL814050 0.82 MAPT (0.44) ADORA3ADORA2AADORA1ADORA2BALDH1A1
SCHEMBL814661 0.82 MAPT (0.41) NPC1RAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL12460354 0.81 RAB9A (0.36) NPC1RAB9AADORA3ADORA2AADORA1
SCHEMBL814102 0.80 ADORA3 (0.30) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL814221 0.79 EZH2 (0.38) NPC1RAB9AADORA3ADORA2AADORA1
SCHEMBL813809 0.77 ADORA3 (0.35) NPC1RAB9AADORA3ADORA2AADORA1
SCHEMBL814162 0.77 MAPT (0.38) NPC1RAB9AADORA3ADORA2AADORA1

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