SCHEMBL6948716

SCHEMBL6948716

Cc1cc(S(C)(=O)=O)ccc1Nc1c(C(=O)O)cc(F)c(F)c1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.51
TNFRSF1A P19438 2/20 0.51
MAP3K9 P80192 2/20 0.51
KDR P35968 1/20 0.51
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 1/20 0.42
MAP2K1 Q02750 3/20 0.41
MAP2K2 P36507 1/20 0.41
GFER P55789 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH3A1 P30838 1/20 0.40
IDO1 P14902 1/20 0.39
METAP2 P50579 2/20 0.38
ABL1 P00519 1/20 0.38
LCK P06239 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
SCHEMBL6949203 0.88 MEN1 (0.47) AURKATNFRSF1AMAP3K9KDRMEN1
SCHEMBL6946682 0.88 AURKA (0.47) AURKATNFRSF1AMAP3K9KDRMEN1
SCHEMBL6948280 0.88 MAP2K1 (0.55) AURKATNFRSF1AMAP3K9KDRMEN1
SCHEMBL6948319 0.87 MAP2K1 (0.51) AURKATNFRSF1AMAP3K9KDRALDH1A1
SCHEMBL27565313 0.83 ALDH1A1 (0.49) AURKATNFRSF1AMAP3K9KDRMEN1
SCHEMBL4853895 0.81 MEN1 (0.62) AURKATNFRSF1AMAP3K9KDRMEN1
SCHEMBL6944102 0.80 MEN1 (0.46) AURKATNFRSF1AMAP3K9KDRMEN1
SCHEMBL6950406 0.79 KMT2A (0.48) AURKATNFRSF1AMAP3K9KDRMEN1
SCHEMBL6947451 0.79 MEN1 (0.75) AURKATNFRSF1AMAP3K9KDRMEN1
SCHEMBL6945746 0.79 MAP2K1 (0.42) AURKATNFRSF1AMAP3K9KDRMAP2K1

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