SCHEMBL6943682

SCHEMBL6943682

Cc1cc([S+](C)[O-])ccc1Nc1cc(F)ccc1C(=O)NOCC1CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 13/20 0.55
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
RAF1 P04049 1/20 0.42
PDGFRB P09619 1/20 0.42
CSNK2A2 P19784 1/20 0.42
MAP2K2 P36507 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
CSNK2A3 Q8NEV1 1/20 0.42
AURKC Q9UQB9 1/20 0.42
CAMK2A Q9UQM7 1/20 0.42
PYGL P06737 2/20 0.36
JAK2 O60674 1/20 0.35
NTRK1 P04629 1/20 0.35
MAPK1 P28482 2/20 0.33
KDR P35968 1/20 0.33
MAPK3 P27361 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
SCHEMBL6945725 0.86 MAP2K1 (0.53) MAP2K1MEN1KMT2ATDP1RAF1
SCHEMBL6948781 0.85 MAP2K1 (0.61) MAP2K1MEN1KMT2ATDP1RAF1
SCHEMBL5398773 0.84 MAP2K1 (0.75) MAP2K1MEN1KMT2ATDP1RAF1
SCHEMBL6944162 0.83 MEN1 (0.74) MAP2K1MEN1KMT2ATDP1RAF1
SCHEMBL6943933 0.83 MAP2K1 (0.57) MAP2K1MEN1KMT2ATDP1RAF1
SCHEMBL6948484 0.82 MAP2K1 (0.64) MAP2K1MEN1KMT2ATDP1RAF1
SCHEMBL6947565 0.82 MEN1 (0.61) MAP2K1MEN1KMT2ATDP1RAF1
SCHEMBL6944337 0.81 CLCN2 (0.38) MAP2K1MEN1KMT2AMAPK1MAPK3
SCHEMBL6946239 0.78 CLCN2 (0.50) MAP2K1MEN1KMT2ATDP1MAPK1
SCHEMBL5393854 0.76 MAP2K1 (0.78) MAP2K1MEN1KMT2ATDP1RAF1

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-1202724-B1 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER LAMBERT CO (US) 2003-10-01 EP claimed
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-1150950-A2 ANTHRANILIC ACID DERIVATIVES WARNER-LAMBERT COMPANY (US) 2001-11-07 EP claimed
WO-2001005393-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO claimed
WO-2000041505-A2 ANTHRANILIC ACID DERIVATIVES WARNER-LAMBERT COMPANY (US) 2000-07-20 WO claimed