SCHEMBL27615944

SCHEMBL27615944

c1ccc(N(c2ncncn2)c2cccc3ccccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.41
ALDH1A1 P00352 5/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 3/20 0.36
TSHR P16473 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
DHFR P00374 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
NR4A1 P22736 1/20 0.33
NR4A2 P43354 1/20 0.33
NR4A3 Q92570 1/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HPGD P15428 1/20 0.32
HTT P42858 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
SCHEMBL28754187 0.86 SIGMAR1 (0.33) SIGMAR1ALDH1A1LMNATSHRNPSR1
SCHEMBL75601 0.84 SIGMAR1 (0.46) SIGMAR1ALDH1A1TDP1LMNATSHR
SCHEMBL292397 0.80 SIGMAR1 (0.51) SIGMAR1ALDH1A1TDP1TSHRL3MBTL1
SCHEMBL30799092 0.80 SIGMAR1 (0.51) SIGMAR1ALDH1A1TDP1TSHRL3MBTL1
SCHEMBL29906514 0.80 SIGMAR1 (0.51) SIGMAR1ALDH1A1TDP1TSHRL3MBTL1
SCHEMBL272955 0.80 SIGMAR1 (0.51) SIGMAR1ALDH1A1TDP1TSHRL3MBTL1
SCHEMBL16484025 0.79 CRHBP (0.37) ALDH1A1TSHRL3MBTL1KDM4EMAPT
SCHEMBL9934401 0.79 SIGMAR1 (0.50) SIGMAR1ALDH1A1TDP1TSHRL3MBTL1
SCHEMBL4893902 0.79 SIGMAR1 (0.50) SIGMAR1ALDH1A1TDP1TSHRL3MBTL1
SCHEMBL76828 0.79 SIGMAR1 (0.50) SIGMAR1ALDH1A1TDP1TSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1728908-B Organic electroluminescent device SAMSUNG SDI CO LTD 2011-08-17 CN claimed
CN-101128559-A Phosphorescent OLEDs with exciton blocking layer EASTMAN KODAK CO (US) 2008-02-20 CN claimed
CN-1841810-A Organic electroluminescent device and method of manufacturing the same SAMSUNG SDI CO LTD (KR) 2006-10-04 CN claimed
CN-1728908-A Organic electroluminescent device SAMSUNG SDI CO LTD (KR) 2006-02-01 CN claimed
CN-101522857-B Compounds for use in opto-electronic devices CAMBRIDGE DISPLAY TECH LTD 2013-07-10 CN disclosed
CN-101897051-B Phosphorescent OLED device with certain fluoranthene host GLOBAL OLED TECHNOLOGY LLC 2013-01-02 CN disclosed
CN-1728908-B Organic electroluminescent device SAMSUNG SDI CO LTD 2011-08-17 CN disclosed
CN-101978528-A Phosphorescent OLED having double hole-blocking layers GLOBAL OLED TECHNOLOGY LLC 2011-02-16 CN disclosed
CN-101910359-A Use of substituted tris(diphenylamino)-triazine compounds in oleds BASF SE 2010-12-08 CN disclosed
CN-101904026-A OLED device with fluoranthene electron transport material GLOBAL OLED TECHNOLOGY LLC 2010-12-01 CN disclosed
CN-101897051-A Phosphorescent OLED device with certain fluoranthene host EASTMAN KODAK CO 2010-11-24 CN disclosed
CN-101878554-A Oled device employing alkali metal cluster compounds EASTMAN KODAK CO 2010-11-03 CN disclosed
CN-101522857-A Compounds for use in opto-electronic devices CDT OXFORD LTD (GB) 2009-09-02 CN disclosed
CN-101128559-A Phosphorescent OLEDs with exciton blocking layer EASTMAN KODAK CO (US) 2008-02-20 CN disclosed
CN-1841810-A Organic electroluminescent device and method of manufacturing the same SAMSUNG SDI CO LTD (KR) 2006-10-04 CN disclosed
CN-1728908-A Organic electroluminescent device SAMSUNG SDI CO LTD (KR) 2006-02-01 CN disclosed