SCHEMBL3133582

SCHEMBL3133582

[Ir+3].c1ccc(N(c2ccccc2)c2cc(-c3cccc(-c4ccccn4)c3)cc(N(c3ccccc3)c3ccccc3)c2)cc1.c1ccc(N(c2ccccc2)c2cc(-c3cccc(-c4ccccn4)c3)cc(N(c3ccccc3)c3ccccc3)c2)cc1.c1ccc(N(c2ccccc2)c2cc(-c3cccc(-c4ccccn4)c3)cc(N(c3ccccc3)c3ccccc3)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.40
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40
TLR4 O00206 1/20 0.39
TLR2 O60603 1/20 0.39
KAT6A Q92794 1/20 0.39
LMNA P02545 3/20 0.38
KDM4E B2RXH2 2/20 0.38
CCR1 P32246 2/20 0.38
CCR5 P51681 2/20 0.38
CCR8 P51685 2/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
METAP1 P53582 1/20 0.38
BLM P54132 1/20 0.38
HIF1A Q16665 1/20 0.38
DOHH Q9BU89 1/20 0.38
P4HTM Q9NXG6 1/20 0.38
GRM5 P41594 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL3141411 0.98 CYP2A6 (0.41) CYP2A6HTR1AHTR7TLR4TLR2
SCHEMBL15606465 0.91 CYP2A6 (0.40) CYP2A6HTR1AHTR7TLR4TLR2
SCHEMBL5106134 0.89 CYP2A6 (0.43) CYP2A6LMNAKDM4ECCR1CCR5
SCHEMBL16484524 0.89 CYP2A6 (0.46) CYP2A6HTR1AHTR7TLR4TLR2
SCHEMBL30109153 0.89 CYP2A6 (0.46) CYP2A6HTR1AHTR7TLR4TLR2
SCHEMBL5115970 0.89 CYP2A6 (0.46) CYP2A6HTR1AHTR7TLR4TLR2
SCHEMBL28432843 0.88 GRM5 (0.43) CYP2A6HTR1AHTR7TLR4TLR2
SCHEMBL5102763 0.87 CYP2A6 (0.44) CYP2A6HTR1AHTR7TLR4TLR2
SCHEMBL6692821 0.86 GRM5 (0.37) CYP2A6HTR1AHTR7TLR4TLR2
SCHEMBL26849314 0.85 CYP2A6 (0.46) CYP2A6HTR1AHTR7TLR4TLR2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1491074-B1 PHOSPHORESCENT DENDRIMERS FOR USE IN LIGHT-EMITTING DEVICES UNIV OXFORD INNOVATION LTD (GB) 2017-07-26 EP disclosed
US-7641986-B2 Having at least one layer that contains phosphorescent organometallic dendrimer with metal cation and two or more coordinating groups as part of core and wherein at least two of coordinating groups each have dendron attached, at least one of which comprises nitrogen atom which forms part of aromatic ring ISIS INNOVATION LIMITED (GB) 2010-01-05 US disclosed
US-20050116622-A1 Phosphorescent dendrimers for use in light-emitting devices CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2005-06-02 US disclosed
EP-1491074-A1 PHOSPHORESCENT DENDRIMERS FOR USE IN LIGHT-EMITTING DEVICES ISIS INNOVATION LIMITED (GB) 2004-12-29 EP disclosed
WO-2003079736-A1 PHOSPHORESCENT DENDRIMERS FOR USE IN LIGHT-EMITTING DEVICES ISIS INNOVATION LIMITED (GB) 2003-09-25 WO disclosed