SCHEMBL3133987

SCHEMBL3133987

c1ccc(-c2ccccc2-c2cccc3c2[nH]c2ccccc23)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.51
TDO2 P48775 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 1/20 0.47
GABRP O00591 1/20 0.47
GABRD O14764 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
GABRA1 P14867 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRG2 P18507 1/20 0.47
NFKB1 P19838 1/20 0.47
MAOA P21397 1/20 0.47
APEX1 P27695 1/20 0.47
GABRB3 P28472 1/20 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
SCHEMBL29986103 0.95 BCHE (0.55) BCHETDO2KDM4EMEN1GABRP
SCHEMBL149958 0.95 BCHE (0.55) BCHETDO2KDM4EMEN1GABRP
SCHEMBL31173712 0.86 KDM4E (0.55) BCHETDO2KDM4EMEN1GABRP
SCHEMBL31173711 0.86 KDM4E (0.55) BCHETDO2KDM4EMEN1GABRP
SCHEMBL20866552 0.86 KDM4E (0.55) BCHETDO2KDM4EMEN1GABRP
SCHEMBL191654 0.83 KIF11 (0.61) BCHEGABRPGABRDALDH1A1GABRA1
SCHEMBL51674 0.83 KIF11 (0.61) BCHEGABRPGABRDALDH1A1GABRA1
SCHEMBL30521516 0.83 KIF11 (0.61) BCHEGABRPGABRDALDH1A1GABRA1
SCHEMBL5665319 0.83 ESR1 (0.46) BCHETDO2PARP14HTR2BHTR5A
SCHEMBL17294843 0.82 TDO2 (0.48) BCHETDO2KDM4EMEN1GABRP

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