SCHEMBL813775

SCHEMBL813775

Cn1c(/C=N/C2CC2)nc2c(-c3ccccc3)ccc(-c3ccccc3)c21

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 10/20 0.34
ACHE P22303 8/20 0.34
MAPT P10636 2/20 0.33
HRH4 Q9H3N8 1/20 0.32
ALDH1A1 P00352 3/20 0.32
BCHE P06276 6/20 0.32
KDM4E B2RXH2 3/20 0.31
HPGD P15428 2/20 0.30
POLB P06746 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
MET P08581 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL813856 0.95 LMNA (0.35) BACE1ACHEMAPTHRH4ALDH1A1
SCHEMBL813990 0.94 LMNA (0.37) BACE1ACHEMAPTALDH1A1
SCHEMBL814057 0.83 HRH4 (0.33) HRH4ALDH1A1POLB
SCHEMBL12460048 0.82 RAB9A (0.35) MAPTHRH4ALDH1A1KDM4EHPGD
SCHEMBL814526 0.80 MAPT (0.36) MAPTHRH4ALDH1A1KDM4EHPGD
SCHEMBL813953 0.79 MEN1 (0.35) MAPTHRH4ALDH1A1KDM4EHPGD
SCHEMBL814053 0.78 ALDH1A1 (0.33) MAPTHRH4ALDH1A1KDM4EHPGD
SCHEMBL814656 0.77 KDM4E (0.31) HRH4ALDH1A1KDM4EHPGDPOLB
SCHEMBL814189 0.77 KDM4E (0.31) HRH4ALDH1A1KDM4EHPGDPOLB
SCHEMBL813868 0.77 MAPT (0.40) MAPTALDH1A1KDM4EHPGDPOLB

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