SCHEMBL7784128

SCHEMBL7784128

NC(=O)c1cc(OCC2CC2)c(F)c(F)c1Nc1ccc(I)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAP2K1 Q02750 6/20 0.43
MAP2K2 P36507 2/20 0.43
RAF1 P04049 1/20 0.43
PDGFRB P09619 1/20 0.43
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A1 P68400 1/20 0.43
CSNK2A3 Q8NEV1 1/20 0.43
AURKC Q9UQB9 1/20 0.43
CAMK2A Q9UQM7 1/20 0.43
PARP10 Q53GL7 4/20 0.41
PARP15 Q460N3 3/20 0.41
SIRT2 Q8IXJ6 1/20 0.38
PARP2 Q9UGN5 1/20 0.37
CDK1 P06493 1/20 0.37
CDK2 P24941 1/20 0.37
CSF1R P07333 1/20 0.36

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
SCHEMBL1078849 0.85 MAP2K1 (0.62) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL6228667 0.74 MAP2K1 (0.62) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL7454752 0.74 MEN1 (0.48) MEN1KMT2ATDP1
SCHEMBL7784127 0.72 MAP2K1 (0.71) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL7806590 0.72 MEN1 (0.44) MEN1KMT2ATDP1MAP2K1IRAK4
SCHEMBL30022485 0.71 MAP2K1 (0.63) MAP2K1MAP2K2
SCHEMBL7463477 0.71 ITGA1 (0.37) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL7809650 0.69 PARP10 (0.60) PARP10PARP15SIRT2PARP2IRAK4
SCHEMBL7115296 0.69 JAK2 (0.38) MAP2K1JAK1JAK2BUB1
SCHEMBL5971605 0.69 MAP2K1 (0.60) MAP2K1MAP2K2

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-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