SCHEMBL6945853

SCHEMBL6945853

Cc1cc([S+](C)[O-])ccc1Nc1c(C(=O)NO)ccc(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.41
MAP2K2 P36507 8/20 0.41
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
PIM1 P11309 1/20 0.39
CAMK2B Q13554 1/20 0.39

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
SCHEMBL6946179 0.89 MEN1 (0.46) MAP2K1MAP2K2HDAC1HDAC6
SCHEMBL6947283 0.88 MAP2K1 (0.54) MAP2K1MAP2K2
SCHEMBL27585118 0.86 MAP2K1 (0.36) MAP2K1HDAC4HDAC1HDAC7HDAC6
SCHEMBL6948517 0.85 MAP2K1 (0.40) MAP2K1MAP2K2HDAC3HDAC4HDAC1
SCHEMBL6944337 0.81 CLCN2 (0.38) MAP2K1HDAC4HDAC1HDAC7HDAC6
SCHEMBL6948781 0.81 MAP2K1 (0.61) MAP2K1MAP2K2PIM1CAMK2B
SCHEMBL5388138 0.81 MAP2K1 (0.60) MAP2K1MAP2K2HDAC3HDAC4HDAC1
SCHEMBL6945746 0.81 MAP2K1 (0.42) MAP2K1MAP2K2HDAC3HDAC4HDAC1
SCHEMBL6944102 0.79 MEN1 (0.46) MAP2K1MAP2K2
SCHEMBL6948913 0.79 MAP2K1 (0.43) MAP2K1MAP2K2HDAC3HDAC4HDAC1

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