SCHEMBL1832121

SCHEMBL1832121

Brc1ccc2c(c1)c1cc(Br)ccc1n2-c1ccccc1-c1ccccc1-n1c2ccc(Br)cc2c2cc(Br)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.41
MAPT P10636 2/20 0.39
PTPRC P08575 1/20 0.37
DNM1 Q05193 4/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
IDO2 Q6ZQW0 1/20 0.37
TSPO P30536 1/20 0.36
GSK3B P49841 6/20 0.36
CCNB2 O95067 5/20 0.36
CDK1 P06493 5/20 0.36
CCNB1 P14635 5/20 0.36
CCNB3 Q8WWL7 5/20 0.36
MEN1 O00255 1/20 0.35
RAD52 P43351 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2A6 P11509 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PDE4B Q07343 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL26529663 0.90 DNMT1 (0.39) DNMT1MAPTPTPRCDNM1IDO1
SCHEMBL26529975 0.90 GABRA1 (0.43) DNMT1MAPTPTPRCDNM1IDO1
SCHEMBL20707497 0.90 DNMT1 (0.41) DNMT1MAPTDNM1IDO1TDO2
SCHEMBL30451809 0.90 DNMT1 (0.41) DNMT1MAPTDNM1IDO1TDO2
SCHEMBL26529649 0.89 POLB (0.38) DNMT1MAPTIDO1TDO2IDO2
SCHEMBL17810060 0.87 IDO1 (0.38) DNMT1MAPTPTPRCDNM1IDO1
SCHEMBL17810062 0.87 PTPRC (0.39) DNMT1MAPTPTPRCDNM1IDO1
SCHEMBL18918088 0.85 ATM (0.42) DNMT1DNM1IDO1TDO2IDO2
SCHEMBL29976046 0.85 ATM (0.42) DNMT1DNM1IDO1TDO2IDO2
SCHEMBL3329263 0.83 CYP2A6 (0.38) DNMT1IDO1TDO2IDO2GSK3B

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-1481036-B1 PHOSPHORESCENT COMPOSITIONS AND ORGANIC LIGHT EMITTING DEVICES CONTAINING THEM CDT OXFORD LTD (GB) 2011-05-11 EP disclosed
US-7736534-B2 Phosphorescent compositions and organic light emitting devices containing them CDT OXFORD LIMITED (GB) 2010-06-15 US disclosed
US-20060083943-A1 Phosphorescent compositions and organic light emitting devices containing therm OPSYS UK LIMITED (GB) 2006-04-20 US disclosed
EP-1481036-A1 PHOSPHORESCENT COMPOSITIONS AND ORGANIC LIGHT EMITTING DEVICES CONTAINING THEM CDT Oxford Limited (GB) 2004-12-01 EP disclosed
WO-2003074628-A1 PHOSPHORESCENT COMPOSITIONS AND ORGANIC LIGHT EMITTING DEVICES CONTAINING THEM CDT OXFORD LIMITED (GB) 2003-09-12 WO disclosed