SCHEMBL6946674

SCHEMBL6946674

C#Cc1ccc(Nc2c(C(=O)NO)cc(Br)c(F)c2F)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 12/20 0.42
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
MAPK1 P28482 1/20 0.39
MAP2K2 P36507 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
GFER P55789 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC1 Q13547 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32

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
SCHEMBL6948269 0.90 MEN1 (0.45) MAP2K1MEN1KMT2AMAPK1MAP2K2
SCHEMBL6950416 0.90 MEN1 (0.47) MAP2K1MEN1KMT2AMAPK1MAP2K2
SCHEMBL6946643 0.86 MAP2K1 (0.42) MAP2K1MEN1KMT2AMAP2K2TDP1
SCHEMBL6946266 0.85 MAP2K1 (0.42) MAP2K1MAP2K2HDAC1HDAC6
SCHEMBL6946598 0.83 MEN1 (0.62) MAP2K1MEN1KMT2AMAP2K2TDP1
SCHEMBL5388205 0.82 MEN1 (0.53) MAP2K1MEN1KMT2AMAPK1MAP2K2
SCHEMBL6944335 0.81 MAP2K1 (0.41) MAP2K1MEN1KMT2AMAPK1MAP2K2
SCHEMBL6950263 0.80 MAP2K1 (0.40) MAP2K1MEN1KMT2AMAPK1MAP2K2
SCHEMBL6946591 0.79 MEN1 (0.43) MAP2K1MEN1KMT2AMAPK1MAP2K2
SCHEMBL6948517 0.79 MAP2K1 (0.40) 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