SCHEMBL823036

SCHEMBL823036

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

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADK P55263 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
APP P05067 1/20 0.31
MEN1 O00255 1/20 0.31
PSMD14 O00487 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 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
SCHEMBL814221 0.82 EZH2 (0.38) ALDH1A1LMNAMAPT
SCHEMBL814102 0.76 ADORA3 (0.30)
SCHEMBL822943 0.76 ALDH1A1 (0.43) ALDH1A1LMNAAPPMEN1KMT2A
SCHEMBL814386 0.76 NPC1 (0.36) ALDH1A1LMNA
SCHEMBL813773 0.75 ADK (0.33) ADKALDH1A1LMNAAPPMEN1
SCHEMBL814661 0.75 MAPT (0.41) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL12460354 0.74 RAB9A (0.36) MAPT
SCHEMBL813926 0.74 ADORA3 (0.36) MAPT
SCHEMBL814029 0.73 HAGH (0.33)
SCHEMBL813936 0.73 ADORA3 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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