SCHEMBL813780

SCHEMBL813780

COc1ccccc1/N=C/c1nc2c(-c3ccccc3)ccc(-c3ccccc3)c2n1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.41
KDM4E B2RXH2 6/20 0.41
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPT P10636 6/20 0.41
HPGD P15428 3/20 0.41
HIF1A Q16665 2/20 0.41
STAT6 P42226 1/20 0.39
LMNA P02545 3/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
NPSR1 Q6W5P4 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.36
OPRK1 P41145 1/20 0.36
HTT P42858 1/20 0.36
MMP14 P50281 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GPR55 Q9Y2T6 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
SCHEMBL814053 0.87 ALDH1A1 (0.33) ALDH1A1KDM4ECASP1MAPTHPGD
SCHEMBL813972 0.85 MEN1 (0.33) ALDH1A1KDM4ECASP1HSD17B10RXFP1
SCHEMBL814181 0.84 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTHPGDLMNA
SCHEMBL813913 0.82 ALDH1A1 (0.43) ALDH1A1MAPTTP53
SCHEMBL814097 0.82 MEN1 (0.43) ALDH1A1KDM4EHSD17B10MAPTHPGD
SCHEMBL814356 0.81 ALDH1A1 (0.46) ALDH1A1KDM4ECASP1MAPTHPGD
SCHEMBL814526 0.81 MAPT (0.36) ALDH1A1KDM4EHSD17B10MAPTHPGD
SCHEMBL813872 0.80 HPGD (0.45) ALDH1A1KDM4ECASP1MAPTHPGD
SCHEMBL12460048 0.79 RAB9A (0.35) ALDH1A1KDM4EHSD17B10MAPTHPGD
SCHEMBL813713 0.76 MAPT (0.34) ALDH1A1KDM4EMAPTLMNAKMT2A

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 12 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-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