SCHEMBL14979564

SCHEMBL14979564

Fc1ccnc(-c2cccc(-c3ccccc3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 2/20 0.47
KMO O15229 4/20 0.46
MAPKAPK2 P49137 2/20 0.44
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
IDO1 P14902 1/20 0.42
MAP4K4 O95819 1/20 0.41
TGFBR1 P36897 1/20 0.41
GRM5 P41594 2/20 0.41
TAAR1 Q96RJ0 1/20 0.40
ESR2 Q92731 1/20 0.40
TDO2 P48775 1/20 0.40

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
SCHEMBL5934924 0.88 ASIC3 (0.59) ASIC3KMOTGFBR1GRM5
SCHEMBL25118560 0.86 IDO1 (0.55) KMOMAPKAPK2IDO1MAP4K4GRM5
SCHEMBL28731089 0.86 ASIC3 (0.57) ASIC3KMOTGFBR1GRM5
SCHEMBL28116354 0.84 ASIC3 (0.53) ASIC3KMOPRSS1PRSS2PRSS3
SCHEMBL12408985 0.84 ASIC3 (0.53) ASIC3KMOPRSS1PRSS2PRSS3
SCHEMBL25633157 0.82 ASIC3 (0.52) ASIC3KMOMAP4K4TGFBR1
SCHEMBL28130409 0.81 MAPKAPK2 (0.55) KMOMAPKAPK2IDO1MAP4K4GRM5
SCHEMBL14224622 0.80 ACHE (0.50) KMOIDO1TGFBR1GRM5
SCHEMBL23278789 0.80 TGFBR1 (0.52) ASIC3MAPKAPK2TGFBR1
SCHEMBL15533311 0.80 KMO (0.42) ASIC3KMOMAPKAPK2IDO1MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015099486-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-07-02 WO disclosed
WO-2014185694-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2014-11-20 WO disclosed
WO-2014171779-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2014-10-23 WO disclosed
WO-2014129846-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND AN ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2014-08-28 WO disclosed
WO-2014098518-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND AN ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2014-06-26 WO disclosed
WO-2013157886-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2013-10-24 WO disclosed
WO-2013073874-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND AN ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2013-05-23 WO disclosed