SCHEMBL4707002

SCHEMBL4707002

CC(CNCc1ccccc1NS(=O)(=O)c1cnc(N)nc1)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
LMNA P02545 7/20 0.41
POLB P06746 3/20 0.39
TP53 P04637 6/20 0.39
ALDH1A1 P00352 5/20 0.38
MAPT P10636 6/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PTGES2 Q9H7Z7 1/20 0.35
THRB P10828 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33

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
SCHEMBL4709029 0.90 KDM4E (0.49) KDM4EPKMLMNAPOLBTP53
SCHEMBL4709795 0.87 KDM4E (0.49) KDM4EPKMLMNAPOLBTP53
SCHEMBL4707788 0.85 KDM4E (0.42) KDM4EPKMLMNAPOLBALDH1A1
SCHEMBL4706976 0.83 PKM (0.46) KDM4EPKMLMNAPOLBTP53
SCHEMBL4709526 0.83 KDM4E (0.54) KDM4EPKMLMNAPOLBTP53
SCHEMBL4708104 0.83 PKM (0.56) KDM4EPKMLMNAPOLBALDH1A1
SCHEMBL4707499 0.82 PKM (0.48) KDM4EPKMLMNAPOLBTP53
SCHEMBL4706576 0.81 KDM4E (0.44) KDM4EPKMLMNAPOLBTP53
SCHEMBL4707040 0.81 KDM4E (0.44) KDM4EPKMLMNAPOLBALDH1A1
SCHEMBL4707437 0.81 KDM4E (0.41) KDM4EPKMLMNAPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879877-A2 ANTIMICROBIAL AGENTS Ranbaxy Laboratories Limited (IN) 2008-01-23 EP disclosed
WO-2006117762-A2 ANTIMICROBIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 WO disclosed