SCHEMBL6948280

SCHEMBL6948280

Cc1cc(S(C)(=O)=O)ccc1Nc1c(C(=O)O)ccc(F)c1F

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 7/20 0.55
MAP2K2 P36507 5/20 0.55
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
AURKA O14965 1/20 0.46
TNFRSF1A P19438 1/20 0.46
KDR P35968 1/20 0.46
MAP3K9 P80192 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 1/20 0.42
GFER P55789 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH3A1 P30838 1/20 0.40
CLCN2 P51788 1/20 0.39
PTGS2 P35354 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
SCHEMBL5989696 0.90 MAP2K1 (0.64) MAP2K1MAP2K2AURKATNFRSF1AKDR
SCHEMBL6945746 0.88 MAP2K1 (0.42) MAP2K1MAP2K2AURKATNFRSF1AKDR
SCHEMBL6948716 0.88 AURKA (0.51) MAP2K1MAP2K2ALDH1A1HSD17B10AURKA
SCHEMBL6944092 0.87 MAP2K1 (0.67) MAP2K1MAP2K2AURKATNFRSF1AKDR
SCHEMBL27565313 0.85 ALDH1A1 (0.49) MAP2K1MAP2K2ALDH1A1HSD17B10AURKA
SCHEMBL6946682 0.83 AURKA (0.47) MAP2K1MAP2K2ALDH1A1HSD17B10AURKA
SCHEMBL29425477 0.81 MAP2K1 (0.78) MAP2K1MAP2K2MEN1KMT2A
SCHEMBL4851710 0.81 MAP2K1 (0.78) MAP2K1MAP2K2MEN1KMT2A
SCHEMBL6035670 0.81 MAP2K1 (0.59) MAP2K1MAP2K2ALDH1A1MEN1KMT2A
SCHEMBL6947283 0.80 MAP2K1 (0.54) MAP2K1MAP2K2MEN1KMT2AMAPK1

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