SCHEMBL6948734

SCHEMBL6948734

CSc1ccc(Nc2cc(F)ccc2C(=O)NO)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
MAP2K1 Q02750 2/20 0.41
MAP2K2 P36507 1/20 0.41
CLCN2 P51788 1/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35

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
SCHEMBL6228943 0.88 MAPK13 (0.47) MAPTALDH1A1KDM4EMAP2K1CLCN2
SCHEMBL6948311 0.87 CLCN2 (0.52) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5388933 0.83 MAPT (0.51) MAPTNPC1RAB9AALDH1A1MAP2K1
SCHEMBL5390982 0.82 MAP2K1 (0.50) MAP2K1MAP2K2CLCN2MAPK13MAPK12
SCHEMBL6950018 0.81 MAPT (0.47) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6948913 0.81 MAP2K1 (0.43) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6232920 0.80 MAPK13 (0.45) MAPTNPC1RAB9AALDH1A1KDM4E
SCHEMBL6943933 0.80 MAP2K1 (0.57) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6943879 0.78 KMT2A (0.48) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6944337 0.78 CLCN2 (0.38) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1

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