SCHEMBL4707040

SCHEMBL4707040

CC(CNCc1ccccc1NS(=O)(=O)c1ccc(-c2cccs2)nc1)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
PKM P14618 1/20 0.44
GHSR Q92847 3/20 0.43
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 1/20 0.35
CDK2 P24941 3/20 0.34
CCNA2 P20248 2/20 0.34
CCNA1 P78396 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HPGDS O60760 2/20 0.33
CCR2 P41597 1/20 0.33
CYP2C9 P11712 1/20 0.32
CDK1 P06493 1/20 0.32
CCNE1 P24864 1/20 0.32

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 0.85 KDM4E (0.49) KDM4EPKMLMNAPOLBALDH1A1
SCHEMBL4709795 0.83 KDM4E (0.49) KDM4EPKMLMNAPOLBALDH1A1
SCHEMBL4199632 0.83 GHSR (0.43) KDM4EPKMGHSRLMNAPOLB
SCHEMBL4706576 0.83 KDM4E (0.44) KDM4EPKMGHSRLMNAPOLB
SCHEMBL4189904 0.83 GHSR (0.43) KDM4EPKMGHSRLMNAPOLB
SCHEMBL4706121 0.83 KDM4E (0.44) KDM4EPKMLMNAPOLBALDH1A1
SCHEMBL4198243 0.82 GHSR (0.43) KDM4EPKMGHSRLMNAPOLB
SCHEMBL4707002 0.81 KDM4E (0.48) KDM4EPKMLMNAPOLBALDH1A1
SCHEMBL4706976 0.80 PKM (0.46) KDM4EPKMLMNAPOLBALDH1A1
SCHEMBL4708104 0.78 PKM (0.56) 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