SCHEMBL4709526

SCHEMBL4709526

CC(CNCc1ccccc1NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1)C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
PKM P14618 1/20 0.54
ALDH1A1 P00352 7/20 0.49
LMNA P02545 7/20 0.44
POLB P06746 4/20 0.44
NPSR1 Q6W5P4 2/20 0.40
TSHR P16473 1/20 0.38
SLC6A3 Q01959 1/20 0.38
MAPT P10636 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
TP53 P04637 2/20 0.38
ATM Q13315 1/20 0.38
CYP2C9 P11712 1/20 0.38
PTGES2 Q9H7Z7 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK1 P28482 2/20 0.37
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL4708248 0.89 KDM4E (0.52) KDM4EPKMALDH1A1LMNAPOLB
SCHEMBL4707448 0.89 KDM4E (0.47) KDM4EPKMALDH1A1LMNAPOLB
SCHEMBL4708104 0.88 PKM (0.56) KDM4EPKMALDH1A1LMNAPOLB
SCHEMBL4707437 0.86 KDM4E (0.41) KDM4EPKMALDH1A1LMNAPOLB
SCHEMBL4708411 0.84 GRM4 (0.40) KDM4EPKMALDH1A1LMNANPSR1
SCHEMBL4707002 0.83 KDM4E (0.48) KDM4EPKMALDH1A1LMNAPOLB
SCHEMBL4706347 0.82 KDM4E (0.50) KDM4EPKMALDH1A1LMNAPOLB
SCHEMBL4709029 0.82 KDM4E (0.49) KDM4EPKMALDH1A1LMNAPOLB
SCHEMBL4709795 0.82 KDM4E (0.49) KDM4EPKMALDH1A1LMNAPOLB
SCHEMBL4708520 0.81 AKT1 (0.47) KDM4EPKMLMNAMAPTSMN1; SMN2

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