SCHEMBL814117

SCHEMBL814117

FC(F)(F)c1ccc(N2CCCC2)c(/N=C/c2nc3c(-c4ccccc4)ccc(-c4ccccc4)c3[nH]2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
MEN1 O00255 2/20 0.51
GAA P10253 2/20 0.51
KMT2A Q03164 2/20 0.51
THRB P10828 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 3/20 0.48
HPGD P15428 2/20 0.48
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
NPY5R Q15761 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL814118 0.79 MAPT (0.55) MAPTMEN1GAAKMT2ATHRB
SCHEMBL814676 0.79 MAPT (0.50) MAPTMEN1GAAKMT2ATHRB
SCHEMBL15672308 0.77 MAPT (0.49) MAPTMEN1GAAKMT2ATHRB
SCHEMBL813989 0.73 NPC1 (0.34) MAPTMEN1GAAKMT2ATHRB
SCHEMBL814156 0.73 MEN1 (0.32) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL814162 0.71 MAPT (0.38) MAPTMEN1GAAKMT2ATHRB
SCHEMBL814054 0.70 CNR2 (0.33)
SCHEMBL813790 0.70 MAPT (0.38) MAPTL3MBTL1KDM4EHPGDLMNA
SCHEMBL813978 0.68 ALDH1A1 (0.42) MAPTMEN1GAAKMT2ATDP1
SCHEMBL813915 0.68 ALDH1A1 (0.46) MAPTMEN1KMT2AL3MBTL1KDM4E

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