SCHEMBL813972

SCHEMBL813972

COc1ccc(C(C)(C)C)cc1/N=C/c1nc2c(-c3ccccc3)ccc(-c3ccccc3)c2n1C

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 3/20 0.32
METAP2 P50579 1/20 0.32
CTSA P10619 4/20 0.31
NR1I2 O75469 6/20 0.31
HPGD P15428 1/20 0.31
HIF1A Q16665 1/20 0.31
ACACA Q13085 1/20 0.31
MAPK14 Q16539 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CASP1 P29466 1/20 0.30
HSD17B10 Q99714 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL813780 0.85 ALDH1A1 (0.41) MEN1KMT2APOLBGAAMAPT
SCHEMBL813913 0.80 ALDH1A1 (0.43) MAPTALDH1A1
SCHEMBL813971 0.78 ALDH1A1 (0.50) KMT2APOLBGAAMAPTALDH1A1
SCHEMBL814053 0.77 ALDH1A1 (0.33) MEN1KMT2APOLBGAAMAPT
SCHEMBL814181 0.75 ALDH1A1 (0.40) POLBGAAMAPTALDH1A1HPGD
SCHEMBL814526 0.75 MAPT (0.36) MEN1KMT2APOLBGAAMAPT
SCHEMBL814676 0.74 MAPT (0.50) MEN1KMT2APOLBGAAMAPT
SCHEMBL813953 0.74 MEN1 (0.35) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL814097 0.73 MEN1 (0.43) MEN1KMT2APOLBGAAMAPT
SCHEMBL814091 0.73 PSMB5 (0.36) POLBGAAMAPTNPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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