SCHEMBL785372

SCHEMBL785372

c1ccc2c(c1)-c1ccccc1C2c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ATM Q13315 1/20 0.43
IL1R1 P14778 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
AKR1C4 P17516 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
PTPN1 P18031 2/20 0.30

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
SCHEMBL12156940 0.96 HDAC4 (0.48) HDAC4L3MBTL1KDM4EATMIL1R1
SCHEMBL21415994 0.95 HDAC4 (0.44) HDAC4L3MBTL1KDM4EATMIL1R1
SCHEMBL14491959 0.94 HDAC4 (0.43) HDAC4L3MBTL1KDM4EATMIL1R1
SCHEMBL12920466 0.92 HDAC4 (0.40) HDAC4L3MBTL1KDM4EATMIL1R1
SCHEMBL25925138 0.92 HDAC4 (0.43) HDAC4L3MBTL1KDM4EATMIL1R1
SCHEMBL30361035 0.91 L3MBTL1 (0.52) HDAC4L3MBTL1KDM4EATMIL1R1
SCHEMBL28426512 0.91 L3MBTL1 (0.52) HDAC4L3MBTL1KDM4EATMIL1R1
SCHEMBL13217414 0.91 HDAC4 (0.41) HDAC4L3MBTL1KDM4EATMIL1R1
SCHEMBL23416567 0.90 HDAC4 (0.44) HDAC4L3MBTL1KDM4EATMIL1R1
SCHEMBL20008832 0.90 HDAC4 (0.41) HDAC4L3MBTL1KDM4EATMIL1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120068165-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT UDC IRELAND LIMITED (IE) 2012-03-22 US disclosed
US-20120068165-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT UDC IRELAND LIMITED (IE) 2012-03-22 US disclosed
US-8062767-B2 Organic light emitting diode containing a Ir complex having a novel ligand as a phosphorescent emitter Cheng, Chien-Hong (TW) 2011-11-22 US disclosed
US-20080217606-A1 Organic light emitting diode containing a Ir complex having a novel ligand as a phosphorescent emitter Cheng, Chien-Hong (TW) 2008-09-11 US disclosed