SCHEMBL14523554

SCHEMBL14523554

CCC(C)c1ccc(N(c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
CYP2C9 P11712 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C19 P33261 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TAAR1 Q96RJ0 3/20 0.43
TSHR P16473 2/20 0.43
TRPA1 O75762 1/20 0.43
AOC3 Q16853 2/20 0.42
SLC7A5 Q01650 1/20 0.42
FAAH O00519 2/20 0.39
MGLL Q99685 1/20 0.39

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
SCHEMBL12012665 1.00 ALDH1A1 (0.45) ALDH1A1CYP2C9KDM4ECYP1A2CYP3A4
SCHEMBL19413370 1.00 ALDH1A1 (0.45) ALDH1A1CYP2C9KDM4ECYP1A2CYP3A4
SCHEMBL2300944 1.00 ALDH1A1 (0.45) ALDH1A1CYP2C9KDM4ECYP1A2CYP3A4
SCHEMBL8531958 0.94 GRIA4 (0.41) ALDH1A1CYP2C9KDM4ECYP1A2CYP3A4
SCHEMBL12299146 0.94 GRIA4 (0.41) ALDH1A1CYP2C9KDM4ECYP1A2CYP3A4
SCHEMBL11910659 0.94 ALDH1A1 (0.45) ALDH1A1CYP2C9KDM4ECYP1A2CYP3A4
SCHEMBL15458072 0.93 CYP2C19 (0.42) ALDH1A1CYP2C9KDM4ECYP1A2CYP3A4
SCHEMBL17973753 0.93 GRIA4 (0.44) ALDH1A1CYP2C9KDM4ECYP1A2CYP3A4
SCHEMBL13053123 0.93 ALDH1A1 (0.39) ALDH1A1CYP2C9KDM4ECYP1A2CYP3A4
SCHEMBL12299141 0.93 GRIA4 (0.44) ALDH1A1CYP2C9KDM4ECYP1A2CYP3A4

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
US-20130164875-A1 BUFFER LAYERS FOR ORGANIC ELECTROLUMINESCENT DEVICES AND METHODS OF MANUFACTURE AND USE SAMSUNG DISPLAY CO., LTD. (KR) 2013-06-27 US disclosed
US-20070079927-A1 BUFFER LAYERS FOR ORGANIC ELECTROLUMINESCENT DEVICES AND METHODS OF MANUFACTURE AND USE 3M INNOVATIVE PROPERTIES COMPANY 2007-04-12 US disclosed
US-7166010-B2 Buffer layers for organic electroluminescent devices and methods of manufacture and use 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-01-23 US disclosed