SCHEMBL814038

SCHEMBL814038

CC(C)C(C)/N=C/c1nc2c(-c3ccccc3)cccc2n1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
ALDH1A1 P00352 4/20 0.35
HPGD P15428 3/20 0.35
POLB P06746 2/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSD17B10 Q99714 2/20 0.34
CNR2 P34972 7/20 0.33
CNR1 P21554 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MET P08581 1/20 0.33
HSD11B1 P28845 1/20 0.33

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
SCHEMBL814189 0.85 KDM4E (0.31) KDM4EALDH1A1HPGDPOLBHTT
SCHEMBL814742 0.71 MAPT (0.43) KDM4EALDH1A1HPGDPOLBHTT
SCHEMBL34467155 0.70 HRH4 (0.44) KDM4EPIK3CDPIK3CAPIK3CBALDH1A1
SCHEMBL21555506 0.70 HRH4 (0.44) KDM4EPIK3CDPIK3CAPIK3CBALDH1A1
SCHEMBL813791 0.68 NPC1 (0.36) KDM4EALDH1A1HPGDPOLBHTT
SCHEMBL813758 0.68 KDM4E (0.31) KDM4EALDH1A1HPGDPOLBHTT
SCHEMBL23105499 0.68 PIK3CD (0.47) KDM4EPIK3CDPIK3CAPIK3CBALDH1A1
SCHEMBL813984 0.68 ADORA3 (0.36) KDM4E
SCHEMBL814334 0.66 GAA (0.32) KDM4EALDH1A1HPGDPOLBHTT
SCHEMBL12460048 0.66 RAB9A (0.35) KDM4EALDH1A1HPGDPOLBHTT

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