SCHEMBL8090136

SCHEMBL8090136

C(=Cc1ccccc1-n1ccnn1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.42
NFE2L2 Q16236 3/20 0.41
TRPA1 O75762 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ATP4A P20648 2/20 0.39
ATP4B P51164 2/20 0.39
NOTUM Q6P988 2/20 0.39
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
CYP24A1 Q07973 2/20 0.36
CYP19A1 P11511 2/20 0.36
ALK Q9UM73 1/20 0.36
ADRA2A P08913 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
NISCH Q9Y2I1 1/20 0.36

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 1.00 NR1H2 (0.42) NR1H2NFE2L2TRPA1KDM4EATP4A
SCHEMBL7098104 0.92 NOTUM (0.44) NR1H2NOTUMCYP19A1MAOA
SCHEMBL7098110 0.88 NFE2L2 (0.37) NR1H2NFE2L2TRPA1KDM4EATP4A
SCHEMBL4163348 0.79 MAPK1 (0.47) NR1H2NFE2L2TRPA1KDM4EATP4A
SCHEMBL4163353 0.79 MAPK1 (0.47) NR1H2NFE2L2TRPA1KDM4EATP4A
SCHEMBL2854803 0.78 NOTUM (0.42) NOTUMMAOA
SCHEMBL31422584 0.73 NR1H2 (0.50) NR1H2NFE2L2TRPA1KDM4EATP4A
SCHEMBL284595 0.73 NR1H2 (0.50) NR1H2NFE2L2TRPA1KDM4EATP4A
SCHEMBL284597 0.73 NR1H2 (0.50) NR1H2NFE2L2TRPA1KDM4EATP4A
SCHEMBL28719885 0.72 NR1H2 (0.49) NR1H2NFE2L2TRPA1KDM4EATP4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-4036778-A Aqueous, storage-stable dispersions of water-soluble compounds CIBA-GEIGY CORPORATION (US) 1977-07-19 US claimed
US-4036778-A Aqueous, storage-stable dispersions of water-soluble compounds CIBA-GEIGY CORPORATION (US) 1977-07-19 US disclosed