SCHEMBL6944102

SCHEMBL6944102

Cc1cc([S+](C)[O-])ccc1Nc1c(C(=O)O)cc(F)c(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.43
MAP2K1 Q02750 5/20 0.40
MAP2K2 P36507 2/20 0.40
GFER P55789 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
IDO1 P14902 2/20 0.38
AURKA O14965 2/20 0.37
TNFRSF1A P19438 2/20 0.37
KDR P35968 1/20 0.37
MAP3K9 P80192 1/20 0.37
CLCN2 P51788 1/20 0.36
P2RX7 Q99572 1/20 0.35
FTO Q9C0B1 1/20 0.34
PRKCB P05771 1/20 0.34
SRC P12931 1/20 0.34
STK3 Q13188 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL6946179 0.88 MEN1 (0.46) MEN1KMT2AMAPK1TDP1MAP2K1
SCHEMBL6944123 0.88 MEN1 (0.44) MEN1KMT2AMAPK1TDP1MAP2K1
SCHEMBL6947283 0.88 MAP2K1 (0.54) MEN1KMT2AMAPK1MAP2K1MAP2K2
SCHEMBL27585113 0.83 MEN1 (0.41) MEN1KMT2AMAPK1TDP1MAP2K1
SCHEMBL4853895 0.80 MEN1 (0.62) MEN1KMT2AMAPK1TDP1MAP2K1
SCHEMBL6948716 0.80 AURKA (0.51) MEN1KMT2AMAPK1TDP1MAP2K1
SCHEMBL6945853 0.79 MAP2K1 (0.41) MAP2K1MAP2K2
SCHEMBL6944162 0.79 MEN1 (0.74) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL6948517 0.78 MAP2K1 (0.40) MEN1KMT2AMAPK1TDP1MAP2K1
SCHEMBL6946239 0.78 CLCN2 (0.50) MEN1KMT2AMAPK1TDP1MAP2K1

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 11 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
EP-1202724-B1 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER LAMBERT CO (US) 2003-10-01 EP disclosed
EP-1202724-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-05-08 EP disclosed
EP-1150950-A2 ANTHRANILIC ACID DERIVATIVES WARNER-LAMBERT COMPANY (US) 2001-11-07 EP disclosed
WO-2001005393-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO disclosed
WO-2000041505-A2 ANTHRANILIC ACID DERIVATIVES WARNER-LAMBERT COMPANY (US) 2000-07-20 WO disclosed