SCHEMBL3323716

SCHEMBL3323716

CCOc1c[nH]c(=O)n(Nc2ccccc2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 5/20 0.38
KMT2A Q03164 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
ALOX12 P18054 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
DAO P14920 1/20 0.38
GLA P06280 1/20 0.36
CYP1A2 P05177 1/20 0.35
RPS6KA2 Q15349 1/20 0.35

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
SCHEMBL4445914 0.67 CYP1A2 (0.44) ALDH1A1MAPTL3MBTL1GAAALOX12
SCHEMBL25183490 0.67 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTKMT2AL3MBTL1
SCHEMBL9312725 0.60 CYP1A2 (0.47) ALDH1A1KDM4EMAPTL3MBTL1GAA
SCHEMBL399972 0.60 MAPK14 (0.49) ALDH1A1KDM4EHPGD
SCHEMBL2128991 0.60 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTKMT2AL3MBTL1
SCHEMBL21839388 0.59 PDE4A (0.53) ALDH1A1MAPTKMT2AGAALMNA
SCHEMBL5229462 0.59 SLC22A6 (0.54) KDM4EMAPTKMT2AMEN1TDP1
SCHEMBL8970984 0.59 MAPK10 (0.55) ALDH1A1MAPTKMT2APOLBMEN1
SCHEMBL8879101 0.59 RAB9A (0.40) KDM4EMAPTL3MBTL1POLBNPC1
1,2-Diethoxybenzene SCHEMBL29428929 0.58 ALDH1A1 (0.68) ALDH1A1KDM4EMAPTL3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910454-B2 TRIETHANOLAMINE PERCHLORATO (TRIFLATO) METAL INNER COMPLEX COORDINATION POLYMERS AS ADDITIVES FOR SYNTHETIC POLYMERS CATENA ADDITIVES GMBH & CO KG (DE) 2016-11-30 EP disclosed
US-7741390-B2 Coordination-polymeric triethanolamineperchlorato(triflato)metal inner complexes as additives for synthetic polymers ARTEMIS RESEARCH GMBH & CO. KG (DE) 2010-06-22 US disclosed
US-20090306257-A1 Stabilizer System for Halogenated Polymers CATENA ADDITIVES GMBH & CO. KG (DE) 2009-12-10 US disclosed
EP-1910454-B1 TRIETHANOLAMINE PERCHLORATO (TRIFLATO) METAL INNER COMPLEX COORDINATION POLYMERS AS ADDITIVES FOR SYNTHETIC POLYMERS CATENA ADDITIVES GMBH & CO KG (DE) 2009-10-21 EP disclosed
US-20090131564-A1 COORDINATION-POLYMERIC TRIETHANOLAMINEPERCHLORATO(TRIFLATO)METAL INNER COMPLEXES AS ADDITIVES FOR SYNTHETIC POLYMERS IKA INNOVATIVE KUNSTSTOFFAUFBEREITUNG GMBH & CO. KG (DE) 2009-05-21 US disclosed
US-20090105387-A1 Coordination-polymeric triethanolamineperchlorato(triflato)metal inner complexes as additives for synthetic polymers ARTEMIS RESEARCH GMBH & CO. KG (DE) 2009-04-23 US disclosed
EP-1910454-A1 TRIETHANOLAMINE PERCHLORATO (TRIFLATO) METAL INNER COMPLEX COORDINATION POLYMERS AS ADDITIVES FOR SYNTHETIC POLYMERS CATENA Additives GmbH & Co. KG (DE) 2008-04-16 EP disclosed
WO-2006136191-A1 TRIETHANOLAMINE PERCHLORATO (TRIFLATO) METAL INNER COMPLEX COORDINATION POLYMERS AS ADDITIVES FOR SYNTHETIC POLYMERS CATENA ADDITIVES GMBH & CO. KG (DE) 2006-12-28 WO disclosed