SCHEMBL2172840

SCHEMBL2172840

N#Cc1ccc2c3ccccc3c3c(C#N)c(C#N)c(C#N)c(C#N)c3c2c1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
KMT2A Q03164 1/20 0.41
AR P10275 1/20 0.39
IMPDH2 P12268 3/20 0.38
IMPDH1 P20839 2/20 0.38
ANPEP P15144 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.34
TSHR P16473 1/20 0.33
CLK1 P49759 1/20 0.33
DYRK1A Q13627 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32

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
SCHEMBL21298495 0.81 KDM4E (0.38) ALDH1A1KDM4EGAAMAPTMEN1
SCHEMBL21791068 0.79 HPRT1 (0.46) ALDH1A1KDM4EGAAMAPTMEN1
SCHEMBL28948920 0.77 PGR (0.33) ALDH1A1KDM4EARANPEPESR2
SCHEMBL4063685 0.77 ALDH1A1 (0.52) ALDH1A1KDM4EGAAMAPTMEN1
SCHEMBL5038700 0.76 KDM4E (0.36) ALDH1A1KDM4EGAAMAPTMEN1
SCHEMBL29820672 0.75 CA1 (0.39) ALDH1A1KDM4EGAAMAPTMEN1
SCHEMBL31261583 0.75 KDM4E (0.46) ALDH1A1KDM4EGAAMAPTMEN1
SCHEMBL21298481 0.75 ANPEP (0.45) ALDH1A1KDM4EGAAMAPTMEN1
SCHEMBL12310191 0.74 AR (0.41) ALDH1A1KDM4EGAAMAPTMEN1
SCHEMBL21791166 0.73 ALDH1A1 (0.46) ALDH1A1KDM4EGAAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108463895-A Organic electroluminescent device, element group, the manufacturing method of organic electroluminescent device, the emission wavelength control method of organic electroluminescent device 国立大学法人九州大学 2018-08-28 CN disclosed
EP-2020047-B1 ORGANIC PHOTOSENSITIVE DEVICES USING SUBPHTHALOCYANINE COMPOUNDS UNIV PRINCETON (US) 2013-07-24 EP disclosed
US-8242493-B2 Organic photosensitive devices using subphthalocyanine compounds THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2012-08-14 US disclosed
US-20110253992-A1 ORGANIC PHOTOSENSITIVE DEVICES USING SUBPHTHALOCYANINE COMPOUNDS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2011-10-20 US disclosed
US-7973307-B2 Organic photosensitive devices using subphthalocyanine compounds THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2011-07-05 US disclosed
US-20100025665-A1 ORGANIC PHOTOSENSITIVE DEVICES USING SUBPHTHALOCYANINE COMPOUNDS ENERGY, UNITED STATES DEPARTMENT OF 2010-02-04 US disclosed
EP-2020047-A2 ORGANIC PHOTOSENSITIVE DEVICES USING SUBPHTHALOCYANINE COMPOUNDS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2009-02-04 EP disclosed
WO-2007139704-A2 ORGANIC PHOTOSENSITIVE DEVICES USING SUBPHTHALOCYANINE COMPOUNDS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2007-12-06 WO disclosed
US-20070272918-A1 Organic photosensitive devices using subphthalocyanine compounds UNITED STATES DEPARTMENT OF ENERGY 2007-11-29 US disclosed