SCHEMBL4706576

SCHEMBL4706576

CC(CNCc1ccccc1NS(=O)(=O)c1ccc(-c2ccco2)nc1)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
PKM P14618 1/20 0.44
GHSR Q92847 1/20 0.43
LMNA P02545 3/20 0.36
POLB P06746 3/20 0.36
ALDH1A1 P00352 5/20 0.35
MAPT P10636 5/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
HTT P42858 1/20 0.35
TP53 P04637 2/20 0.34
THRB P10828 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TSHR P16473 1/20 0.33
CKS1B P61024 1/20 0.33
SKP2 Q13309 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
CDK1 P06493 3/20 0.32
CCNE1 P24864 3/20 0.32
CDK2 P24941 3/20 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
SCHEMBL4706121 0.86 KDM4E (0.44) KDM4EPKMLMNAPOLBALDH1A1
SCHEMBL4709795 0.83 KDM4E (0.49) KDM4EPKMLMNAPOLBALDH1A1
SCHEMBL4709029 0.83 KDM4E (0.49) KDM4EPKMLMNAPOLBALDH1A1
SCHEMBL4200217 0.83 GHSR (0.43) KDM4EPKMGHSRLMNAPOLB
SCHEMBL4194983 0.83 GHSR (0.43) KDM4EPKMGHSRLMNAPOLB
SCHEMBL4707040 0.83 KDM4E (0.44) KDM4EPKMGHSRLMNAPOLB
SCHEMBL4195580 0.82 GHSR (0.43) KDM4EPKMGHSRLMNAPOLB
SCHEMBL4707002 0.81 KDM4E (0.48) KDM4EPKMLMNAPOLBALDH1A1
SCHEMBL4706976 0.80 PKM (0.46) KDM4EPKMLMNAPOLBALDH1A1
SCHEMBL4708673 0.79 ALDH1A1 (0.44) KDM4EPKMLMNAALDH1A1SMN1; 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