SCHEMBL813971

SCHEMBL813971

COc1ccc(C(C)(C)C)cc1/N=C/c1nc2ccccc2n1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
POLB P06746 2/20 0.50
KDM4E B2RXH2 7/20 0.47
TP53 P04637 4/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
LMNA P02545 4/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
PKM P14618 2/20 0.44
CDK5 Q00535 1/20 0.44
PAX8 Q06710 1/20 0.44
CDK5R1 Q15078 1/20 0.44
RCE1 Q9Y256 1/20 0.44
HPGD P15428 3/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 3/20 0.43
HTT P42858 3/20 0.41

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
SCHEMBL16102667 0.85 ALDH1A1 (0.53) ALDH1A1POLBKDM4ETP53ALOX15
SCHEMBL16102669 0.85 ALDH1A1 (0.53) ALDH1A1POLBKDM4ETP53ALOX15
SCHEMBL814116 0.83 KDM4E (0.56) ALDH1A1POLBKDM4ETP53ALOX15
SCHEMBL16101976 0.83 KDM4E (0.56) ALDH1A1POLBKDM4ETP53ALOX15
SCHEMBL16103246 0.78 KDM4E (0.50) ALDH1A1POLBKDM4ETP53ALOX15
SCHEMBL16103244 0.78 KDM4E (0.50) ALDH1A1POLBKDM4ETP53ALOX15
SCHEMBL814114 0.75 KDM4E (0.56) ALDH1A1POLBKDM4ETP53ALOX15
SCHEMBL17499609 0.74 KDM4E (0.51) ALDH1A1POLBKDM4ETP53ALOX15
SCHEMBL17499613 0.74 KDM4E (0.51) ALDH1A1POLBKDM4ETP53ALOX15
SCHEMBL16103526 0.74 KDM4E (0.48) ALDH1A1POLBKDM4ETP53ALOX15

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