SCHEMBL20204617

SCHEMBL20204617

C=C1NC(=O)CCC1Cc1ccc(C(C)(C)NS(=O)(=O)c2cccc(OCC3CC3)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DUT P33316 17/20 0.62
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.37
GAA P10253 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
SCHEMBL15870778 0.92 DUT (0.64) DUTPOLBKMT2AHTTGAA
SCHEMBL20374431 0.81 DUT (0.63) DUT
SCHEMBL20204782 0.81 DUT (0.68) DUTGAA
SCHEMBL21536598 0.81 DUT (0.70) DUT
SCHEMBL1409352 0.80 DUT (0.67) DUT
SCHEMBL27827503 0.78 DUT (0.65) DUT
SCHEMBL1410044 0.77 DUT (1.00) DUT
SCHEMBL12629734 0.73 DUT (0.75) DUT
SCHEMBL21536721 0.73 DUT (0.71) DUT
SCHEMBL21536674 0.73 DUT (0.60) DUT

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-2018098209-A1 AMINO SULFONYL COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed