SCHEMBL6946682

SCHEMBL6946682

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.47
TNFRSF1A P19438 2/20 0.47
MAP3K9 P80192 2/20 0.47
KDR P35968 1/20 0.47
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPK1 P28482 1/20 0.45
LMNA P02545 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAP2K1 Q02750 3/20 0.39
METAP2 P50579 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
GFER P55789 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE4B Q07343 1/20 0.38
MAP2K2 P36507 2/20 0.37
ALDH3A1 P30838 1/20 0.36
SIRT6 Q8N6T7 1/20 0.36

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
SCHEMBL6950263 0.90 MAP2K1 (0.40) AURKATNFRSF1AMAP3K9KDRMEN1
SCHEMBL6948716 0.88 AURKA (0.51) AURKATNFRSF1AMAP3K9KDRMEN1
SCHEMBL6951081 0.87 LMNA (0.48) AURKATNFRSF1AMAP3K9KDRLMNA
SCHEMBL6948280 0.83 MAP2K1 (0.55) AURKATNFRSF1AMAP3K9KDRMEN1
SCHEMBL2387610 0.82 MAP2K1 (0.53) AURKATNFRSF1AMAP3K9KDRMEN1
SCHEMBL6944123 0.81 MEN1 (0.44) AURKATNFRSF1AMAP3K9KDRMEN1
SCHEMBL13841944 0.80 MEN1 (0.60) MEN1KMT2AMAPK1LMNAALDH1A1
SCHEMBL6946807 0.80 KMT2A (0.46) MEN1KMT2AMAPK1ALDH1A1MAP2K1
SCHEMBL6944499 0.80 MEN1 (0.62) MEN1KMT2AMAP2K1PDE4BMAP2K2
SCHEMBL6949203 0.79 MEN1 (0.47) AURKATNFRSF1AMAP3K9KDRMEN1

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 9 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-1150950-A2 ANTHRANILIC ACID DERIVATIVES WARNER-LAMBERT COMPANY (US) 2001-11-07 EP disclosed
WO-2000041505-A2 ANTHRANILIC ACID DERIVATIVES WARNER-LAMBERT COMPANY (US) 2000-07-20 WO disclosed