SCHEMBL708642

SCHEMBL708642

CN(Cc1nc2ccccc2[nH]1)Cc1nc2ccccc2[nH]1.Cl[Co]Cl

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.63
BCHE P06276 1/20 0.61
DDAH1 O94760 1/20 0.57
POLB P06746 1/20 0.53
PKM P14618 1/20 0.51
GAA P10253 1/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
HTT P42858 1/20 0.48
PDE10A Q9Y233 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL711939 0.93 TDP1 (0.70) TDP1BCHEDDAH1POLBPKM
Hydrochloric Acid SCHEMBL708641 0.90 TDP1 (0.67) TDP1BCHEDDAH1POLBPKM
Hydrochloric Acid SCHEMBL709918 0.90 TDP1 (0.67) TDP1BCHEDDAH1POLBPKM
Hydrochloric Acid SCHEMBL709917 0.90 TDP1 (0.71) TDP1BCHEDDAH1POLBPKM
Hydrochloric Acid SCHEMBL708640 0.90 TDP1 (0.71) TDP1BCHEDDAH1POLBPKM
SCHEMBL23303404 0.87 BCHE (0.70) TDP1BCHEDDAH1POLBPKM
SCHEMBL23336458 0.84 BCHE (0.66) TDP1BCHEDDAH1POLBPKM
SCHEMBL4118942 0.83 BCHE (0.69) TDP1BCHEDDAH1POLBPKM
SCHEMBL9697955 0.82 BCHE (0.59) TDP1BCHEDDAH1POLBPKM
SCHEMBL1333203 0.81 BCHE (0.82) TDP1BCHEDDAH1POLBPKM

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-1910426-B1 DIENE POLYMERISATION INEOS SALES (UK) LTD (GB) 2018-01-03 EP disclosed
US-8648000-B2 Diene polymerisation INEOS COMMERCIAL SERVICES UK LIMITED (GB) 2014-02-11 US disclosed
WO-2012035546-A3 A TAMPER EVIDENT MULTIPLE METALLIZED AND DEMETALLIZED SECURITY DEVICE AND PROCESS FOR PREPARING THE SAME KAPOOR AJAY (IN) 2012-05-10 WO disclosed
US-8124698-B2 Diene polymerisation INEOS EUROPE LIMITED (GB) 2012-02-28 US disclosed
EP-1918312-B1 Diene polymerisation INEOS COMMERCIAL SERVICES UK (GB) 2011-12-07 EP disclosed
US-20100022724-A1 Diene Polymerisation INEOS SALES (UK) LIMITED (GB) 2010-01-28 US disclosed
US-20080293896-A1 Diene polymerisation INEOS SALES (UK) LIMITED (GB) 2008-11-27 US disclosed
EP-1918312-A1 Diene polymerisation INEOS EUROPE LIMITED (GB) 2008-05-07 EP disclosed
EP-1918311-A1 Diene polymerisation INEOS EUROPE LIMITED (GB) 2008-05-07 EP disclosed
EP-1910426-A1 DIENE POLYMERISATION INEOS EUROPE LIMITED (GB) 2008-04-16 EP disclosed
WO-2007015074-A1 DIENE POLYMERISATION INEOS EUROPE LIMITED (GB) 2007-02-08 WO disclosed