SCHEMBL3184147

SCHEMBL3184147

Nc1ccc(C(c2ccc(N)cc2)c2ccc(N)cc2O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 3/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 5/20 0.39
GAA P10253 4/20 0.39
MAPT P10636 4/20 0.39
KDM4E B2RXH2 4/20 0.39
HIF1A Q16665 3/20 0.39
CYP3A4 P08684 3/20 0.39
HTT P42858 2/20 0.39
ALOX12 P18054 1/20 0.39
ESR2 Q92731 1/20 0.39
PTPN1 P18031 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
PDE10A Q9Y233 1/20 0.39
ALOX15 P16050 4/20 0.37
HSD17B10 Q99714 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL6836032 0.93 TYR (0.42) CASP1TSHRALDH1A1GAAMAPT
SCHEMBL22043953 0.88 CASP1 (0.41) CASP1TSHRALDH1A1GAAMAPT
SCHEMBL22044673 0.88 HSD17B10 (0.48) ALDH1A1GAAMAPTKDM4ECYP3A4
SCHEMBL22051079 0.84 TYR (0.44) CASP1TSHRALDH1A1GAAMAPT
SCHEMBL22050433 0.82 CYP3A4 (0.45) CASP1TSHRALDH1A1GAAMAPT
SCHEMBL23054197 0.81 TSHR (0.35) CASP1TSHRALDH1A1GAAMAPT
SCHEMBL10029310 0.79 GABRA1 (0.45) CASP1TSHRALDH1A1GAAMAPT
SCHEMBL224346 0.75 ALDH1A1 (0.48) CASP1TSHRALDH1A1GAAMAPT
SCHEMBL3793824 0.74 TYR (0.50) ALDH1A1GAAESR2TDP1KMT2A
SCHEMBL31240541 0.74 LMNA (0.59) CASP1TSHRALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7704622-B1 solid polyelectrolyte membranes have high proton conductivity, good mechanical strength and long term stability at temperatures above 120 degrees C. and low relative humidity; fuel cells, high-energy density batteries; reaction product of glycidoxypropyltrimethoxysilane and Jeffamine; low cost THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 2010-04-27 US disclosed
US-7659420-B2 Polymers made from chemically protected dihydroxyacetone monomers e.g., 2,2-dimethoxy-1,3-propanediol and/or dimers such as 2,5-dialkoxy-2,5-bis(hydroxymethyl)-1,4-dioxane; e.g. polycarbonates, polyspiroacetals, polyesters and polyurethanes; biodegradable with minimal toxicity; biomedical, consumer use CORNELL RESEARCH FOUNDATION, INC (US) 2010-02-09 US disclosed
US-20080194786-A1 Polymers made from chemically protected dihydroxyacetone monomers e.g., 2,2-dimethoxy-1,3-propanediol and/or dimers such as 2,5-dialkoxy-2,5-bis(hydroxymethyl)-1,4-dioxane; e.g. polycarbonates, polyspiroacetals, polyesters and polyurethanes; biodegradable with minimal toxicity; biomedical, consumer use CORNELL RESEARCH FOUNDATION, INC. (US) 2008-08-14 US disclosed
US-6979721-B1 Substituted cyclohexene endcaps for polymers with thermal-oxidative stability THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 2005-12-27 US disclosed
WO-2005108457-A1 DIHYDROXYACETONE-BASED POLYMERS CORNELL RESEARCH FOUNDATION, INC. (US) 2005-11-17 WO disclosed
US-6881820-B1 Rod-coil block polyimide copolymers THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 2005-04-19 US disclosed
US-6855433-B1 Mechanically resilient polymeric films doped with a lithium compound THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 2005-02-15 US disclosed
US-6784276-B1 High-solids polyimide precursor solutions THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES NATIONAL AERONAUTICS AND SPACE ADMINISTRATION 2004-08-31 US disclosed
US-6303744-B1 NOVEL DICARBOXYLIC ENDCAP SUCH AS 7-HYDROXY-5-NORBORNENE-2,3-DICARBOXYLIC ANHYDRIDE AND 7,7-DIFLOURO-5-NORBORNENE-2,3-DICARBOXYLIC ANHYDRIDE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION 2001-10-16 US disclosed
US-6274699-B1 ENDCAPPING WITH A ISOBENZOFURAN COMPOUND THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION 2001-08-14 US disclosed
US-5614606-A Polyamic acids and polyimides CIBA-GEIGY CORPORATION (US) 1997-03-25 US disclosed
EP-0372361-B1 Radiation-curable composition and registration material prepared therefrom HOECHST AG (DE) 1995-10-18 EP disclosed
US-5053317-A Binder containing carboxy groups, unsaturated compound and photoinitiators; aqueous alkaline developers; lithographic printing plates; durability; antisticking agents HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-01 US disclosed
US-4234632-A COATING WASTE PARTICLES WITH A THERMOSETTING RESIN, COMPACTING, CURING, AND COATING WITH A THERMOPLASTIC RESIN THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR U.S. ENVIRONMENTAL PROTECTION AGENCY (US) 1980-11-18 US disclosed