SCHEMBL7459563

SCHEMBL7459563

Cc1cc(I)ccc1Nc1c(C(N)=O)ccc(S(=O)(=O)N(C)Cc2cccnc2)c1OCC1CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAP2K1 Q02750 2/20 0.39
CXCR3 P49682 1/20 0.36
DHODH Q02127 1/20 0.36
HSD17B10 Q99714 1/20 0.35
RPS6KB1 P23443 1/20 0.34
AKT1 P31749 1/20 0.34
MMP1 P03956 4/20 0.34
MMP9 P14780 4/20 0.34
MMP13 P45452 4/20 0.34
ADAM17 P78536 4/20 0.34
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
NAMPT P43490 1/20 0.33
PDK1 Q15118 1/20 0.33
F2 P00734 1/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL7118932 0.88 KMT2A (0.37) TDP1MEN1KMT2AMAP2K1CXCR3
SCHEMBL7118222 0.82 MEN1 (0.41) TDP1MEN1KMT2AMAP2K1KDM5A
SCHEMBL6266866 0.81 MEN1 (0.61) TDP1MEN1KMT2AMAP2K1CXCR3
SCHEMBL6260593 0.79 MAP2K1 (0.56) TDP1MEN1KMT2AMAP2K1CXCR3
SCHEMBL6947384 0.78 CXCR3 (0.36) TDP1MEN1KMT2AMAP2K1CXCR3
SCHEMBL7118232 0.77 CXCR3 (0.35) KMT2ACXCR3MMP1MMP9MMP13
SCHEMBL27565264 0.76 PDK1 (0.40) TDP1MAP2K1CXCR3DHODHMMP1
SCHEMBL7784132 0.76 KMT2A (0.46) TDP1MEN1KMT2AMAP2K1NAMPT
SCHEMBL6262703 0.74 MEN1 (0.62) TDP1MEN1KMT2AMAP2K1CXCR3
SCHEMBL6261428 0.73 MAP2K1 (0.57) TDP1MEN1KMT2AMAP2K1CXCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144371-A1 BENZENESULPHONAMIDE DERIVATIVES AND THEIR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-10-17 EP 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