SCHEMBL7120943

SCHEMBL7120943

CCN(CC)CCCN(Cc1cccnc1)S(=O)(=O)c1c(F)c(F)c(Nc2ccc(I)cc2)c(C(N)=O)c1OCC1CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.34
NAMPT P43490 6/20 0.33
TAS2R14 Q9NYV8 1/20 0.31
USP2 O75604 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
RORC P51449 1/20 0.31
ALDH1A1 P00352 2/20 0.30
GAA P10253 1/20 0.30
KDM4E B2RXH2 1/20 0.30
RAB9A P51151 1/20 0.30
F2 P00734 1/20 0.30
MMP1 P03956 1/20 0.30

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
SCHEMBL7122977 0.91 NAMPT (0.35) CXCR3NAMPTTAS2R14USP2HDAC3
SCHEMBL7123741 0.88 NAMPT (0.38) CXCR3NAMPT
SCHEMBL7118232 0.85 CXCR3 (0.35) CXCR3NAMPTUSP2RORCALDH1A1
SCHEMBL7783692 0.83 HDAC6 (0.37) TAS2R14HDAC6
SCHEMBL6263086 0.81 MEN1 (0.42) CXCR3NAMPTTAS2R14HDAC3HDAC1
SCHEMBL7117133 0.79 HDAC6 (0.35) NAMPTHDAC3HDAC8HDAC6
SCHEMBL7785868 0.79 CXCR3 (0.34) CXCR3HDAC3HDAC8HDAC6RAB9A
SCHEMBL7464207 0.76 CCR6 (0.34) CXCR3GAAKDM4ERAB9A
SCHEMBL7118932 0.76 KMT2A (0.37) CXCR3NAMPTUSP2ALDH1A1KDM4E
SCHEMBL7122822 0.76 KMT2A (0.35) ALDH1A1

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 9 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
EP-1202724-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-05-08 EP disclosed
EP-1144371-A1 BENZENESULPHONAMIDE DERIVATIVES AND THEIR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-10-17 EP disclosed
WO-2001005393-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO disclosed
WO-2000042003-A1 BENZENESULFONAMIDE DERIVATIVES AND THEIR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-20 WO disclosed