SCHEMBL6943879

SCHEMBL6943879

CSc1ccc(Nc2c(C(=O)NO)cc(F)c(F)c2F)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAP2K1 Q02750 8/20 0.42
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
MAP2K2 P36507 3/20 0.37
HDAC1 Q13547 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GFER P55789 1/20 0.34
PKM P14618 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
SCHEMBL6944335 0.89 MAP2K1 (0.41) KMT2AMEN1TDP1MAP2K1MAPK1
SCHEMBL6948913 0.88 MAP2K1 (0.43) KMT2AMEN1MAP2K1MAPK1SMN1; SMN2
SCHEMBL6950406 0.88 KMT2A (0.48) KMT2AMEN1TDP1MAP2K1MAPK1
SCHEMBL27577420 0.83 KMT2A (0.40) KMT2AMEN1MAP2K1MAPK1SMN1; SMN2
SCHEMBL5403672 0.83 MEN1 (0.66) KMT2AMEN1TDP1MAP2K1MAPK1
SCHEMBL6950462 0.81 MEN1 (0.76) KMT2AMEN1TDP1MAP2K1MAP2K2
SCHEMBL6950416 0.80 MEN1 (0.47) KMT2AMEN1TDP1MAP2K1MAPK1
SCHEMBL6949203 0.80 MEN1 (0.47) KMT2AMEN1TDP1MAP2K1MAPK1
SCHEMBL6946179 0.79 MEN1 (0.46) KMT2AMEN1TDP1MAP2K1MAPK1
SCHEMBL6946807 0.79 KMT2A (0.46) KMT2AMEN1TDP1MAP2K1MAPK1

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