SCHEMBL7123741

SCHEMBL7123741

CN(Cc1cccnc1)S(=O)(=O)c1c(F)c(F)c(Nc2ccc(I)cc2)c(C(N)=O)c1OCC1CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 9/20 0.38
CXCR3 P49682 1/20 0.36
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
BUB1 O43683 2/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
MAP2K1 Q02750 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL7117133 0.91 HDAC6 (0.35) NAMPTPDE4ABUB1MAP2K1
SCHEMBL7122977 0.89 NAMPT (0.35) NAMPTCXCR3BUB1JAK2JAK1
SCHEMBL7120943 0.88 CXCR3 (0.34) NAMPTCXCR3
SCHEMBL7464207 0.87 CCR6 (0.34) CXCR3PDE4APDE4BPDE4CPDE4D
SCHEMBL7455817 0.82 KDM4E (0.40) BUB1MAP2K1HSD17B10
SCHEMBL7122822 0.81 KMT2A (0.35) MAP2K1
SCHEMBL7783692 0.80 HDAC6 (0.37) BUB1
SCHEMBL7115296 0.79 JAK2 (0.38) NAMPTBUB1JAK2JAK1MAP2K1
SCHEMBL6262835 0.79 MEN1 (0.46) NAMPTCXCR3PDE4APDE4BPDE4C
SCHEMBL7785868 0.77 CXCR3 (0.34) CXCR3BUB1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003504401-A 2003-02-04 JP claimed
EP-1202724-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-05-08 EP claimed
EP-1144371-A1 BENZENESULPHONAMIDE DERIVATIVES AND THEIR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-10-17 EP claimed
WO-2001005393-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO claimed
WO-2000042003-A1 BENZENESULFONAMIDE DERIVATIVES AND THEIR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-20 WO claimed