SCHEMBL7450466

SCHEMBL7450466

COc1ccc(CNS(=O)(=O)c2cc(C(=O)NOCC3CC3)c(Nc3ccc(I)cc3Cl)c(F)c2F)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 16/20 0.61
RAF1 P04049 1/20 0.61
PDGFRB P09619 1/20 0.61
CSNK2A2 P19784 1/20 0.61
MAP2K2 P36507 1/20 0.61
CSNK2B P67870 1/20 0.61
CSNK2A1 P68400 1/20 0.61
CSNK2A3 Q8NEV1 1/20 0.61
AURKC Q9UQB9 1/20 0.61
CAMK2A Q9UQM7 1/20 0.61
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL6260580 0.90 MAP2K1 (0.62) MAP2K1RAF1PDGFRBCSNK2A2MAP2K2
SCHEMBL6262782 0.88 MAP2K1 (0.59) MAP2K1RAF1PDGFRBCSNK2A2MAP2K2
SCHEMBL6264014 0.87 MAP2K1 (0.59) MAP2K1RAF1PDGFRBCSNK2A2MAP2K2
SCHEMBL7458237 0.86 MAP2K1 (0.50) MAP2K1RAF1PDGFRBCSNK2A2MAP2K2
SCHEMBL6263542 0.86 MAP2K1 (0.58) MAP2K1RAF1PDGFRBCSNK2A2MAP2K2
SCHEMBL6262386 0.85 MAP2K1 (0.59) MAP2K1RAF1PDGFRBCSNK2A2MAP2K2
SCHEMBL6261657 0.84 MAP2K1 (0.58) MAP2K1RAF1PDGFRBCSNK2A2MAP2K2
SCHEMBL6262491 0.84 MAP2K1 (0.73) MAP2K1RAF1PDGFRBCSNK2A2MAP2K2
SCHEMBL6266655 0.84 MAP2K1 (0.59) MAP2K1RAF1PDGFRBCSNK2A2MAP2K2
SCHEMBL6262864 0.84 MAP2K1 (0.57) MAP2K1RAF1PDGFRBCSNK2A2MAP2K2

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-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