SCHEMBL4707499

SCHEMBL4707499

CC(CNCc1ccccc1NS(=O)(=O)c1ccc(N)c(O)c1)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 4/20 0.42
LMNA P02545 7/20 0.39
POLB P06746 6/20 0.39
TP53 P04637 5/20 0.39
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
PTGES2 Q9H7Z7 1/20 0.37
THRB P10828 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PGAM1 P18669 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP3A4 P08684 1/20 0.35
DDX3X O00571 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL4707534 0.84 PKM (0.44) PKMKDM4EALDH1A1LMNAPOLB
SCHEMBL4708104 0.82 PKM (0.56) PKMKDM4EALDH1A1LMNAPOLB
SCHEMBL4709029 0.82 KDM4E (0.49) PKMKDM4EALDH1A1LMNAPOLB
SCHEMBL4707002 0.82 KDM4E (0.48) PKMKDM4EALDH1A1LMNAPOLB
SCHEMBL4193445 0.81 KDM4E (0.46) PKMKDM4EALDH1A1LMNAPOLB
SCHEMBL4709526 0.81 KDM4E (0.54) PKMKDM4EALDH1A1LMNAPOLB
SCHEMBL4706347 0.81 KDM4E (0.50) PKMKDM4EALDH1A1LMNAPOLB
SCHEMBL4707448 0.80 KDM4E (0.47) PKMKDM4EALDH1A1LMNAPOLB
SCHEMBL4708790 0.79 PKM (0.46) PKMKDM4EALDH1A1LMNAPOLB
SCHEMBL4708306 0.79 PKM (0.46) PKMKDM4EALDH1A1LMNAPOLB

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