SCHEMBL814532

SCHEMBL814532

Cc1nn(C)c(C)c1/N=C/c1nc2ccccc2n1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.57
KDM4E B2RXH2 10/20 0.55
TP53 P04637 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
MAPT P10636 6/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
HCRTR1 O43613 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
ALDH1A1 P00352 8/20 0.50
HPGD P15428 4/20 0.50
HSD17B10 Q99714 1/20 0.50
LMNA P02545 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
TDP1 Q9NUW8 3/20 0.47

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
SCHEMBL813671 0.78 KDM4E (0.57) GAAKDM4ETP53ALOX15TSHR
SCHEMBL813793 0.75 KDM4E (0.66) GAAKDM4ETP53ALOX15TSHR
SCHEMBL814014 0.74 KDM4E (0.60) GAAKDM4ETP53ALOX15TSHR
SCHEMBL814230 0.74 GAA (0.45) GAAKDM4EMAPTKMT2AMEN1
SCHEMBL813863 0.74 KDM4E (0.56) GAAKDM4ETP53ALOX15TSHR
SCHEMBL813941 0.74 GAA (0.58) GAAKDM4ETP53ALOX15TSHR
SCHEMBL813879 0.73 KDM4E (0.59) GAAKDM4ETP53ALOX15TSHR
SCHEMBL17499609 0.73 KDM4E (0.51) GAAKDM4ETP53ALOX15TSHR
SCHEMBL17499613 0.73 KDM4E (0.51) GAAKDM4ETP53ALOX15TSHR
SCHEMBL12460834 0.73 KDM4E (0.72) GAAKDM4ETP53ALOX15TSHR

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