SCHEMBL4707448

SCHEMBL4707448

CC(CNCc1ccccc1NS(=O)(=O)c1cccc(NS(C)(=O)=O)c1)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
PKM P14618 1/20 0.47
LMNA P02545 9/20 0.43
MAPT P10636 9/20 0.43
TP53 P04637 3/20 0.43
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 7/20 0.41
POLB P06746 2/20 0.38
HTT P42858 3/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
XBP1 P17861 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CTSD P07339 1/20 0.36
BACE1 P56817 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PRMT5 O14744 1/20 0.34

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
SCHEMBL4709526 0.89 KDM4E (0.54) KDM4EPKMLMNAMAPTTP53
SCHEMBL4708411 0.83 GRM4 (0.40) KDM4EPKMLMNAMAPTTP53
SCHEMBL4707437 0.81 KDM4E (0.41) KDM4EPKMLMNAMAPTALDH1A1
SCHEMBL4708104 0.81 PKM (0.56) KDM4EPKMLMNAMAPTALDH1A1
SCHEMBL4189913 0.81 KDM4E (0.45) KDM4EPKMLMNAMAPTTP53
SCHEMBL4707002 0.81 KDM4E (0.48) KDM4EPKMLMNAMAPTTP53
SCHEMBL4707499 0.80 PKM (0.48) KDM4EPKMLMNAMAPTTP53
SCHEMBL4708306 0.79 PKM (0.46) KDM4EPKMLMNAMAPTTP53
SCHEMBL4708248 0.79 KDM4E (0.52) KDM4EPKMLMNAMAPTTP53
SCHEMBL4708790 0.78 PKM (0.46) KDM4EPKMLMNAMAPTTP53

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