SCHEMBL1818445

SCHEMBL1818445

Sc1ccc2c(ccc3ncccc32)c1.Sc1ccc2c(ccc3ncccc32)c1.[Zn]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.59
MAPT P10636 3/20 0.55
KDM4E B2RXH2 2/20 0.55
LMNA P02545 2/20 0.49
NCOA1 Q15788 2/20 0.41
HTT P42858 3/20 0.41
MEN1 O00255 2/20 0.41
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 2/20 0.41
KMT2A Q03164 2/20 0.41
BLM P54132 1/20 0.41
HIF1A Q16665 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
MAPK14 Q16539 2/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP1B1 Q16678 1/20 0.38
NR4A2 P43354 2/20 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
SCHEMBL319528 0.79 CYP3A4 (0.59) CYP3A4MAPTKDM4ELMNANCOA1
SCHEMBL7129065 0.79 CYP3A4 (0.59) CYP3A4MAPTKDM4ELMNANCOA1
SCHEMBL359895 0.77 NPC1 (0.63) CYP3A4MAPTKDM4ELMNAHTT
SCHEMBL1714506 0.77 CYP3A4 (0.61) CYP3A4MAPTKDM4ELMNANCOA1
Zinc Ion SCHEMBL1714011 0.76 CYP3A4 (0.59) CYP3A4MAPTKDM4ELMNANCOA1
SCHEMBL5144012 0.76 CYP3A4 (0.59) CYP3A4MAPTKDM4ELMNANCOA1
SCHEMBL18624809 0.76 CYP3A4 (0.92) CYP3A4MAPTKDM4ELMNANCOA1
SCHEMBL31364139 0.76 CYP3A4 (0.92) CYP3A4MAPTKDM4ELMNANCOA1
SCHEMBL30105881 0.76 CYP3A4 (0.92) CYP3A4MAPTKDM4ELMNANCOA1
SCHEMBL50649 0.75 CYP3A4 (1.00) CYP3A4MAPTKDM4ELMNANCOA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0862353-B1 Electroluminescent devices XEROX CORP (US) 2002-11-27 EP claimed
US-7943244-B2 Display device with metal-organic mixed layer anodes LG DISPLAY CO., LTD. (KR) 2011-05-17 US disclosed
US-20060263628-A1 Display device with metal-organic mixed layer anodes XEROX CORPORATION 2006-11-23 US disclosed