SCHEMBL13292994

SCHEMBL13292994

c1cc2c3nc4cscc4nc3c3cccc4c5nc6cscc6nc5c(c1)c2c34

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
ACHE P22303 1/20 0.33
ALDH1A1 P00352 4/20 0.32
CYP1A2 P05177 2/20 0.32
HTT P42858 1/20 0.32
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
THRB P10828 2/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
RAB9A P51151 4/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 2/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
CASP1 P29466 1/20 0.31
MAPK10 P53779 1/20 0.31
CASP7 P55210 1/20 0.31
MYC P01106 1/20 0.31
MAX P61244 1/20 0.31

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
SCHEMBL13292989 0.90 ALDH1A1 (0.46) KDM4EACHEALDH1A1CYP1A2THRB
SCHEMBL29325417 0.84 ALDH1A1 (0.39) KDM4EACHEALDH1A1CYP1A2HTT
SCHEMBL30336231 0.84 ALDH1A1 (0.39) KDM4EACHEALDH1A1CYP1A2HTT
SCHEMBL29325488 0.82 ELANE (0.40) KDM4EALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL13156509 0.78 MAPT (0.50) KDM4EACHEALDH1A1CYP1A2HPGD
SCHEMBL29325493 0.74 ELANE (0.40) KDM4EALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL13292991 0.73 NQO2 (0.52) ACHEALDH1A1CYP1A2THRBHPGD
SCHEMBL13293060 0.70 ALDH1A1 (0.48) KDM4EACHEALDH1A1CYP1A2THRB
SCHEMBL13292931 0.68 ALDH1A1 (0.58) KDM4EACHEALDH1A1CYP1A2THRB
SCHEMBL31681702 0.67 ALDH1A1 (0.50) ACHEALDH1A1CYP1A2THRBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836731-B1 ORGANIC THIN FILM TRANSISTOR LG CHEMICAL LTD (KR) 2017-10-11 EP disclosed
EP-1828343-B1 PYRENE DERIVATIVES AND ORGANIC ELECTRONIC DEVICE USING PYRENE DERIVATIVES LG CHEMICAL LTD (KR) 2016-12-07 EP disclosed
US-7745819-B2 Pyrene derivatives and organic electronic device using pyrene derivatives LG CHEM. LTD. (KR) 2010-06-29 US disclosed
US-7745819-B2 Pyrene derivatives and organic electronic device using pyrene derivatives LG CHEM. LTD. (KR) 2010-06-29 US disclosed
US-7714323-B2 Organic thin film comprising pyrene derivatives LG CHEM. LTD. (KR) 2010-05-11 US disclosed
US-7714323-B2 Organic thin film comprising pyrene derivatives LG CHEM. LTD. (KR) 2010-05-11 US disclosed
WO-2007004803-A9 ORGANIC THIN FILM TRANSISTOR LG CHEMICAL LTD (KR) 2009-07-23 WO disclosed
US-20070069203-A1 Pyrene derivatives and organic electronic device using pyrene derivatives LG CHEM. LTD. (KR) 2007-03-29 US disclosed
US-20070069203-A1 Pyrene derivatives and organic electronic device using pyrene derivatives LG CHEM. LTD. (KR) 2007-03-29 US disclosed
US-20070023749-A1 Organic thin film transistor LG CHEM, LTD (KR) 2007-02-01 US disclosed
US-20070023749-A1 Organic thin film transistor LG CHEM, LTD (KR) 2007-02-01 US disclosed
WO-2007004799-A1 PYRENE DERIVATIVES AND ORGANIC ELECTRONIC DEVICE USING PYRENE DERIVATIVES LG CHEM. LTD. (KR) 2007-01-11 WO disclosed
WO-2007004803-A2 ORGANIC THIN FILM TRANSISTOR LG CHEM, LTD. (KR) 2007-01-11 WO disclosed