SCHEMBL7098110

SCHEMBL7098110

C(=Cc1cccc(-n2ccnn2)c1-n1ccnn1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.37
KDM4E B2RXH2 1/20 0.37
TRPA1 O75762 2/20 0.37
CYP24A1 Q07973 2/20 0.36
ATP4A P20648 2/20 0.36
ATP4B P51164 2/20 0.36
NR1H2 P55055 1/20 0.36
NOTUM Q6P988 3/20 0.36
KEAP1 Q14145 1/20 0.35
DHFR P00374 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
CYP19A1 P11511 1/20 0.33

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
SCHEMBL3863178 0.88 NR1H2 (0.42) NFE2L2KDM4ETRPA1CYP24A1ATP4A
SCHEMBL8090136 0.88 NR1H2 (0.42) NFE2L2KDM4ETRPA1CYP24A1ATP4A
SCHEMBL7098104 0.80 NOTUM (0.44) NR1H2NOTUMKEAP1CYP19A1
SCHEMBL4155690 0.71 NFE2L2 (0.42) NFE2L2KDM4ETRPA1CYP24A1ATP4A
SCHEMBL4155688 0.71 NFE2L2 (0.42) NFE2L2KDM4ETRPA1CYP24A1ATP4A
SCHEMBL17373622 0.70 NOTUM (0.42) NOTUMKEAP1
SCHEMBL2854803 0.70 NOTUM (0.42) NOTUMKEAP1
SCHEMBL285349 0.70 NR1H2 (0.42) NFE2L2KDM4ETRPA1ATP4AATP4B
Hydrochloric Acid SCHEMBL23291644 0.69 NOTUM (0.41) NOTUMKEAP1
SCHEMBL17028392 0.69 NOTUM (0.41) NOTUMKEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1047729-B1 COMPOSITION FOR BLEACHING MECHANICAL PULP DE DONATO FAUSTO (IT) 2003-01-08 EP claimed
EP-1047729-A1 COMPOSITION FOR BLEACHING WOODPULP AND PROCESS FOR ITS PRODUCTION De Donato, Fausto (IT) 2000-11-02 EP claimed
WO-1999029779-A1 COMPOSITION FOR BLEACHING WOODPULP AND PROCESS FOR ITS PRODUCTION DONATO FAUSTO DE (IT) 1999-06-17 WO claimed
EP-1047729-B1 COMPOSITION FOR BLEACHING MECHANICAL PULP DE DONATO FAUSTO (IT) 2003-01-08 EP disclosed
EP-1047729-A1 COMPOSITION FOR BLEACHING WOODPULP AND PROCESS FOR ITS PRODUCTION De Donato, Fausto (IT) 2000-11-02 EP disclosed
WO-1999029779-A1 COMPOSITION FOR BLEACHING WOODPULP AND PROCESS FOR ITS PRODUCTION DONATO FAUSTO DE (IT) 1999-06-17 WO disclosed