SCHEMBL6944337

SCHEMBL6944337

Cc1cc([S+](C)[O-])ccc1Nc1cc(F)ccc1C(=O)NO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLCN2 P51788 1/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
RXFP1 Q9HBX9 2/20 0.35
PKM P14618 1/20 0.35
MAPK3 P27361 2/20 0.35
MAPK1 P28482 2/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
MAP2K1 Q02750 1/20 0.34
HDAC4 P56524 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HDAC7 Q8WUI4 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL6946239 0.88 CLCN2 (0.50) CLCN2MAPK13MAPK12MAPK11MAPK14
SCHEMBL6943666 0.87 CLCN2 (0.40) CLCN2MAPK13MAPK12MAPK11MAPK14
SCHEMBL6228943 0.86 MAPK13 (0.47) CLCN2MAPK13MAPK12MAPK11MAPK14
SCHEMBL6946671 0.83 NPC1 (0.42) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL6945853 0.81 MAP2K1 (0.41) MAP2K1HDAC4HDAC7HDAC1HDAC6
SCHEMBL5388933 0.81 MAPT (0.51) CLCN2MAPK13MAPK12MAPK11MAPK14
SCHEMBL6943682 0.81 MAP2K1 (0.55) MAPK3MAPK1MAP2K1MEN1KMT2A
SCHEMBL5390982 0.80 MAP2K1 (0.50) CLCN2MAPK13MAPK12MAPK11MAPK14
SCHEMBL27585118 0.79 MAP2K1 (0.36) MAPK1MAP2K1HDAC4MEN1KMT2A
SCHEMBL6946179 0.79 MEN1 (0.46) MAPK1MAP2K1MEN1KMT2ASMN1; SMN2

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 7 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
CN-1365277-A Methods of treating chronic pain using MEK inhibitors VARNER LAMBERT CO (US) 2002-08-21 CN 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