SCHEMBL8053607

SCHEMBL8053607

COc1ccc(CN2C(=O)CC[C@H]2COS(=O)(=O)c2ccc(C)cc2)cc1-c1cccc(NO)c1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 18/20 0.39
HCRTR1 O43613 17/20 0.39
KMT2A Q03164 1/20 0.36
GYS1 P13807 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
SCHEMBL8073873 1.00 HCRTR2 (0.39) HCRTR2HCRTR1KMT2AGYS1
SCHEMBL15906096 0.90 HCRTR2 (0.42) HCRTR2HCRTR1
SCHEMBL15906092 0.90 HCRTR2 (0.42) HCRTR2HCRTR1
SCHEMBL15906117 0.90 HCRTR2 (0.42) HCRTR2HCRTR1
SCHEMBL13578441 0.87 HCRTR2 (0.39) HCRTR2HCRTR1GYS1
SCHEMBL13578447 0.87 HCRTR2 (0.39) HCRTR2HCRTR1GYS1
SCHEMBL10440119 0.86 HCRTR1 (0.39) HCRTR2HCRTR1
SCHEMBL10440096 0.86 HCRTR1 (0.39) HCRTR2HCRTR1
SCHEMBL10440090 0.86 HCRTR1 (0.39) HCRTR2HCRTR1
SCHEMBL8058230 0.85 HCRTR2 (0.45) HCRTR2HCRTR1GYS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009067600-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2009-05-28 WO disclosed