SCHEMBL8670940

SCHEMBL8670940

C(=C/Nc1ncc[nH]1)\Nc1ncc[nH]1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 12/20 0.44
ADRA2C P18825 11/20 0.44
ADRA1D P25100 9/20 0.44
ADRA1A P35348 9/20 0.44
ADRA1B P35368 9/20 0.44
FDPS P14324 1/20 0.42
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR2C P28335 1/20 0.33
MTOR P42345 1/20 0.32
ADK P55263 1/20 0.32
NISCH Q9Y2I1 1/20 0.32
FFAR2 O15552 1/20 0.32
TERT O14746 1/20 0.31

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
SCHEMBL7406981 0.81
SCHEMBL814595 0.81
SCHEMBL2849057 0.81
Hydrochloric Acid SCHEMBL28733425 0.79 FDPS (0.43) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL708660 0.78 ADRA2A (0.56) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL7340791 0.77
SCHEMBL8310366 0.76 ADRA2A (0.48) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL2981194 0.74
SCHEMBL21556926 0.74
Bromide SCHEMBL7211375 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0788458-B1 METHOD FOR THE CATALYTIC DISPROPORTIONATION OF HYDROPEROXIDES AND PEROXIDES IN AQUEOUS MEDIA ELF AQUITAINE (FR) 1998-12-16 EP disclosed
EP-0788458-A1 METHOD FOR THE CATALYTIC DISPROPORTIONATION OF HYDROPEROXIDES AND PEROXIDES IN AQUEOUS MEDIA ELF AQUITAINE (FR) 1997-08-13 EP disclosed
WO-1996012672-A1 METHOD FOR THE CATALYTIC DISPROPORTIONATION OF HYDROPEROXIDES AND PEROXIDES IN AQUEOUS MEDIA ELF AQUITAINE (FR) 1996-05-02 WO disclosed