SCHEMBL7783692

SCHEMBL7783692

NC(=O)c1c(Nc2ccc(I)cc2)c(F)c(F)c(S(=O)(=O)N(CCO)Cc2ccncc2)c1OCC1CC1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.37
BUB1 O43683 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TAS2R14 Q9NYV8 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) HDAC6BUB1TAS2R14
SCHEMBL7125539 0.89 MEN1 (0.45) HDAC6MEN1KMT2ATDP1
SCHEMBL7117133 0.89 HDAC6 (0.35) HDAC6BUB1MEN1KMT2ATDP1
SCHEMBL7785868 0.88 CXCR3 (0.34) HDAC6BUB1MEN1KMT2ATDP1
SCHEMBL7454190 0.87 MEN1 (0.44) HDAC6MEN1KMT2ATDP1
SCHEMBL7115296 0.84 JAK2 (0.38) BUB1
SCHEMBL7112501 0.83 BUB1 (0.32) BUB1
SCHEMBL7120943 0.83 CXCR3 (0.34) HDAC6TAS2R14
SCHEMBL7123660 0.83 MEN1 (0.45) HDAC6MEN1KMT2ATDP1
SCHEMBL7123741 0.80 NAMPT (0.38) BUB1

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 4 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-1144371-A1 BENZENESULPHONAMIDE DERIVATIVES AND THEIR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-10-17 EP disclosed
WO-2000042003-A1 BENZENESULFONAMIDE DERIVATIVES AND THEIR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-20 WO disclosed