SCHEMBL377269

SCHEMBL377269

Cc1nc2ccccc2c(OC(=O)O)c1OC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.53
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
HSD17B10 Q99714 2/20 0.50
GPR3 P46089 1/20 0.50
TP53 P04637 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
HPGD P15428 1/20 0.50
NUDT1 P36639 1/20 0.50
HTT P42858 2/20 0.49
POLB P06746 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 3/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ERN1 O75460 1/20 0.46
LMNA P02545 1/20 0.44
KDM4E B2RXH2 3/20 0.43
GLA P06280 2/20 0.43

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
SCHEMBL4729382 0.88 ERN1 (0.54) PDE10AKMT2AMEN1HSD17B10GPR3
SCHEMBL7554133 0.87 HSD17B10 (0.60) PDE10AKMT2AMEN1HSD17B10GPR3
SCHEMBL5183047 0.85 POLB (0.55) PDE10AKMT2AMEN1HSD17B10TP53
Water SCHEMBL8130350 0.83 POLB (0.53) PDE10AKMT2AMEN1HSD17B10TP53
SCHEMBL18075813 0.79 PDE10A (0.61) PDE10AKMT2AMEN1TP53ALDH1A1
SCHEMBL6652588 0.79 POLB (0.56) KMT2AMEN1ALDH1A1HPGDHTT
SCHEMBL5013121 0.78 HTT (0.45) PDE10AKMT2AMEN1HSD17B10TP53
SCHEMBL1278314 0.78 PDE10A (0.57) PDE10AKMT2AMEN1HSD17B10GPR3
SCHEMBL3234898 0.78 GAA (0.56) PDE10AKMT2AMEN1ALDH1A1HPGD
SCHEMBL6823101 0.77 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1CYP1A2HPGD

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 88 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2739169-B1 POROUS CATALYTIC MATRICES FOR ELIMINATION OF TOXICANTS FOUND IN TOBACCO COMBUSTION PRODUCTS MASSACHUSETTS INST TECHNOLOGY (US) 2019-06-12 EP claimed
EP-1165064-B1 NOVEL INHIBITORS OF FORMATION OF ADVANCED GLYCATION ENDPRODUCTS (AGE'S) HOPE CITY (US) 2004-02-25 EP claimed
EP-1687462-B1 METHOD FOR ELECTROCHEMICAL PRODUCTION OF A CRYSTALLINE POROUS METAL ORGANIC SKELETON MATERIAL FRAUNHOFER GES FORSCHUNG (DE) 2019-03-13 EP disclosed
EP-2798013-B1 ANTI-REFLECTIVE COATING LEIBNIZ INST FÜR NEUE MATERIALIEN GEMEINNÜTZIGE GMBH (DE) 2016-08-17 EP disclosed
EP-2168971-B1 Fluid absorption by metal-organic frameworks BASF SE (DE) 2016-08-03 EP disclosed
EP-2230288-B1 METAL-ORGANIC FRAMEWORKS IN REFRIGERATION/HEATING MACHINES BASF SE (DE) 2016-05-25 EP disclosed
EP-2798013-A1 ANTI-REFLECTIVE COATING Leibniz-Institut für Neue Materialien gemeinnützige GmbH (DE) 2014-11-05 EP disclosed
EP-2408536-B1 PROCESS FOR SEPARATING ACID GASES USING AMINE IMPREGNATED METAL ORGANIC FRAMEWORKS BASF SE (DE) 2014-07-30 EP disclosed
EP-2117676-B1 METHOD FOR SEPARATING GASES USING A POROUS METAL ORGANIC FRAMEWORK MATERIAL BASF SE (DE) 2014-06-25 EP disclosed
EP-2408684-B1 BIOLOGICALLY DEGRADABLE MATERIAL BASED ON A POLYMERIC MATERIAL CONTAINING POROUS ORGANOMETALLIC NETWORKS BASF SE (DE) 2013-08-21 EP disclosed
WO-2013098090-A1 ANTI-REFLECTIVE COATING LEIBNIZ-INSTITUT FÜR NEUE MATERIALIEN GEMEINNÜTZIGE GMBH (DE) 2013-07-04 WO disclosed
WO-2007023134-A1 METHOD FOR PRODUCING ORGANOMETALLIC FRAMEWORK MATERIALS CONTAINING MAIN GROUP METAL IONS BASF AKTIENGESELLSCHAFT (DE) 2007-03-01 WO disclosed
WO-2006125739-A1 SUSPENSION FOR REDUCING ODOURS BASF AKTIENGESELLSCHAFT (DE) 2006-11-30 WO disclosed
WO-2006125761-A2 METHOD FOR PRODUCING POROUS METAL-ORGANIC FRAMEWORK MATERIALS BASF AKTIENGESELLSCHAFT (DE) 2006-11-30 WO disclosed
WO-2006122920-A1 GAS ODOROUS SUBSTANCE SEPARATION BASF AKTIENGESELLSCHAFT (DE) 2006-11-23 WO disclosed
EP-1702925-A1 absorption of liquids by metal organic framework materials BASF AKTIENGESELLSCHAFT (DE) 2006-09-20 EP disclosed
EP-1687462-A1 METHOD FOR ELECTROCHEMICAL PRODUCTION OF A CRYSTALLINE POROUS METAL ORGANIC SKELETON MATERIAL BASF AKTIENGESELLSCHAFT (DE) 2006-08-09 EP disclosed
WO-2006072573-A2 ADSORPTIVE PRODUCTION OF XENON FROM KRYPTON/XENON GAS MIXTURES BASF AKTIENGESELLSCHAFT (DE) 2006-07-13 WO disclosed
EP-1674555-A1 Concentration of methane in methane containing gas mixtures by adsorption BASF AKTIENGESELLSCHAFT (DE) 2006-06-28 EP disclosed
WO-2005049892-A1 METHOD FOR ELECTROCHEMICAL PRODUCTION OF A CRYSTALLINE POROUS METAL ORGANIC SKELETON MATERIAL BASF AKTIENGESELLSCHAFT (DE) 2005-06-02 WO disclosed