SCHEMBL813879

SCHEMBL813879

Cc1cc(C)cc(/N=C/c2nc3ccccc3n2C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.59
GAA P10253 3/20 0.56
TP53 P04637 2/20 0.56
ALOX15 P16050 2/20 0.56
TSHR P16473 1/20 0.56
ALDH1A1 P00352 9/20 0.54
HPGD P15428 4/20 0.54
HSD17B10 Q99714 2/20 0.54
NPC1 O15118 6/20 0.50
RAB9A P51151 6/20 0.50
MAPT P10636 5/20 0.50
PKM P14618 4/20 0.50
LMNA P02545 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
KMT2A Q03164 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
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
SCHEMBL813793 0.84 KDM4E (0.66) KDM4EGAATP53ALOX15TSHR
SCHEMBL813671 0.84 KDM4E (0.57) KDM4EGAATP53ALOX15TSHR
SCHEMBL814014 0.78 KDM4E (0.60) KDM4EGAATP53ALOX15TSHR
SCHEMBL12460834 0.76 KDM4E (0.72) KDM4EGAATP53ALOX15TSHR
SCHEMBL16103246 0.75 KDM4E (0.50) KDM4EGAATP53ALOX15TSHR
SCHEMBL16103244 0.75 KDM4E (0.50) KDM4EGAATP53ALOX15TSHR
SCHEMBL16102669 0.75 ALDH1A1 (0.53) KDM4EGAATP53ALOX15TSHR
SCHEMBL16102667 0.75 ALDH1A1 (0.53) KDM4EGAATP53ALOX15TSHR
SCHEMBL5212985 0.74 KDM4E (1.00) KDM4EGAATP53ALOX15TSHR
SCHEMBL5212990 0.74 KDM4E (1.00) KDM4EGAATP53ALOX15TSHR

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