SCHEMBL18620596

SCHEMBL18620596

CNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CCC(C)(C)O2

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLG P00747 3/20 0.41
PLAU P00749 2/20 0.41
F10 P00742 1/20 0.41
KLKB1 P03952 1/20 0.41
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
F2 P00734 2/20 0.35
CCR5 P51681 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
ST14 Q9Y5Y6 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
SCHEMBL13663688 0.88 HSP90AA1 (0.38) PLGPLAUF10KLKB1CYP1A2
SCHEMBL4431792 0.85 PLG (0.41) PLGPLAUF10KLKB1PTGS1
SCHEMBL18506897 0.85 PLG (0.41) PLGPLAUF10KLKB1PTGS1
SCHEMBL18545144 0.83 PLG (0.41) PLGPLAUF10KLKB1PTGS1
SCHEMBL4082092 0.81 PLG (0.41) PLGPLAUF10KLKB1PTGS1
SCHEMBL850468 0.79 PLG (0.45) PLGPLAUF10KLKB1CYP3A4
SCHEMBL8961190 0.79 PLG (0.40) PLGPLAUF10KLKB1PTGS1
SCHEMBL8529805 0.79 PLG (0.39) PLGPLAUF10KLKB1PTGS1
SCHEMBL8531015 0.77 CYP1A2 (0.39) PLGPLAUF10KLKB1PTGS1
SCHEMBL4530181 0.77 PTGS1 (0.42) PLGPLAUF10KLKB1PTGS1

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-2017040304-A1 MALT1 INHIBITORS AND USES THEREOF CORNELL UNIVERSITY (US) 2017-03-09 WO disclosed