SCHEMBL4707437

SCHEMBL4707437

CC(CNCc1ccccc1NS(=O)(=O)c1ccc(NS(C)(=O)=O)cn1)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
ALDH1A1 P00352 4/20 0.36
SLC6A3 Q01959 1/20 0.36
NTRK1 P04629 4/20 0.35
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
PTK2 Q05397 2/20 0.33
ADRB3 P13945 2/20 0.33
GRIN2B Q13224 1/20 0.33
S1PR1 P21453 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
AURKA O14965 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 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
SCHEMBL4708756 0.87 KDM4E (0.41) KDM4EPKMALDH1A1LMNAPOLB
SCHEMBL4707788 0.87 KDM4E (0.42) KDM4EPKMALDH1A1LMNAPOLB
SCHEMBL4708268 0.87 KDM4E (0.38) KDM4EPKMALDH1A1LMNAPOLB
SCHEMBL4709526 0.86 KDM4E (0.54) KDM4EPKMALDH1A1SLC6A3LMNA
SCHEMBL4197632 0.82 KDM4E (0.39) KDM4EPKMALDH1A1NTRK1LMNA
SCHEMBL4707448 0.81 KDM4E (0.47) KDM4EPKMALDH1A1LMNAPOLB
SCHEMBL4707002 0.81 KDM4E (0.48) KDM4EPKMALDH1A1LMNAPOLB
SCHEMBL4708411 0.80 GRM4 (0.40) KDM4EPKMALDH1A1LMNAS1PR1
SCHEMBL4708104 0.78 PKM (0.56) KDM4EPKMALDH1A1LMNAPOLB
SCHEMBL4709795 0.78 KDM4E (0.49) KDM4EPKMALDH1A1LMNAPOLB

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