SCHEMBL7098104

SCHEMBL7098104

C(=C/c1ccccc1-n1ccnn1)\c1ccccc1-n1ccnn1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 16/20 0.44
KEAP1 Q14145 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CHRNB2 P17787 1/20 0.38
CYP2B6 P20813 1/20 0.38
MAOA P21397 1/20 0.38
CYP2C19 P33261 1/20 0.38
CHRNA4 P43681 1/20 0.38
HTR3A P46098 1/20 0.38
CYP19A1 P11511 2/20 0.35
NR1H2 P55055 1/20 0.34

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
SCHEMBL8090136 0.92 NR1H2 (0.42) NOTUMMAOACYP19A1NR1H2
SCHEMBL3863178 0.92 NR1H2 (0.42) NOTUMMAOACYP19A1NR1H2
SCHEMBL2854803 0.85 NOTUM (0.42) NOTUMKEAP1CYP1A2CYP2C9CHRNB2
SCHEMBL7098110 0.80 NFE2L2 (0.37) NOTUMKEAP1CYP19A1NR1H2
SCHEMBL31245628 0.74 IDO1 (0.47) NOTUMKEAP1CYP1A2CYP2C9CHRNB2
SCHEMBL170100 0.74 IDO1 (0.47) NOTUMKEAP1CYP1A2CYP2C9CHRNB2
SCHEMBL241942 0.74 NOTUM (0.50) NOTUMKEAP1CYP1A2CYP2C9CHRNB2
SCHEMBL20605667 0.74 NOTUM (0.50) NOTUMKEAP1CYP1A2CYP2C9CHRNB2
SCHEMBL29842592 0.74 NOTUM (0.59) NOTUMKEAP1CYP1A2CYP2C9CHRNB2
SCHEMBL454021 0.74 GAA (0.47) NOTUMKEAP1CYP1A2CYP2C9CHRNB2

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-B1 COMPOSITION FOR BLEACHING MECHANICAL PULP DE DONATO FAUSTO (IT) 2003-01-08 EP 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