SCHEMBL27554229

SCHEMBL27554229

Nc1c(-c2ccnnn2)cc(C=Cc2ccccc2)c(S(=O)(=O)O)c1S(=O)(=O)O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DAPK1 P53355 1/20 0.32
SLC2A1 P11166 1/20 0.31
MAOB P27338 1/20 0.30

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
SCHEMBL10636487 0.88 MAOB (0.31) MAOB
SCHEMBL11374553 0.84 KDM4E (0.33) MAOB
SCHEMBL38760 0.82 PLAU (0.31)
SCHEMBL5669473 0.80 GRM4 (0.32) DAPK1
SCHEMBL9805980 0.80 DAPK1 (0.30) DAPK1
SCHEMBL3113210 0.76 SLC2A1 (0.34) SLC2A1MAOB
SCHEMBL38677 0.75 MAOB (0.39) DAPK1MAOB
SCHEMBL30677882 0.74 DHFR (0.39) SLC2A1MAOB
SCHEMBL30785927 0.74 DHFR (0.39) SLC2A1MAOB
SCHEMBL8612737 0.74 DHFR (0.39) SLC2A1MAOB

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
CN-1280394-C Water-soluble granules of a manganese complex of the salicylic type CIBA SC HOLDING AG (CH) 2006-10-18 CN disclosed
CN-1365383-A Water-soluble granules of salen-type manganese cmplexes CIBA SC HOLDING AG (CH) 2002-08-21 CN disclosed
CN-1343198-A Manganese complexes of salen ligands and the use thereof CIBA SC HOLDING AG (CH) 2002-04-03 CN disclosed