SCHEMBL6950263

SCHEMBL6950263

Cc1cc(S(C)(=O)=O)ccc1Nc1c(C(=O)NO)cc(Br)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPK1 P28482 1/20 0.39
MAP2K2 P36507 1/20 0.39
AURKA O14965 1/20 0.38
TNFRSF1A P19438 1/20 0.38
KDR P35968 1/20 0.38
MAP3K9 P80192 1/20 0.38
CA1 P00915 6/20 0.38
CA2 P00918 6/20 0.38
PDE4B Q07343 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH3A1 P30838 1/20 0.35
CA9 Q16790 3/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
ALDH1A1 P00352 1/20 0.34
NPC1 O15118 1/20 0.34
MMP1 P03956 1/20 0.34

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
SCHEMBL6946682 0.90 AURKA (0.47) MAP2K1MEN1KMT2AMAPK1MAP2K2
SCHEMBL6949203 0.90 MEN1 (0.47) MAP2K1MEN1KMT2AMAPK1AURKA
SCHEMBL6945746 0.85 MAP2K1 (0.42) MAP2K1MAP2K2AURKATNFRSF1AKDR
SCHEMBL6944499 0.83 MEN1 (0.62) MAP2K1MEN1KMT2AMAP2K2PDE4B
SCHEMBL5388205 0.82 MEN1 (0.53) MAP2K1MEN1KMT2AMAPK1MAP2K2
SCHEMBL6948517 0.81 MAP2K1 (0.40) MAP2K1MEN1KMT2AMAPK1MAP2K2
SCHEMBL6944335 0.81 MAP2K1 (0.41) MAP2K1MEN1KMT2AMAPK1MAP2K2
SCHEMBL27585116 0.81 ALDH1A1 (0.40) MAP2K1PDE4BALDH3A1ALDH1A1ADAM17
SCHEMBL6946674 0.80 MAP2K1 (0.42) MAP2K1MEN1KMT2AMAPK1MAP2K2
SCHEMBL6948716 0.78 AURKA (0.51) MAP2K1MEN1KMT2AMAPK1MAP2K2

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