SCHEMBL6952054

SCHEMBL6952054

Cc1cc(-n2ccnc2)ccc1Nc1c(C(=O)NO)ccc(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 5/20 0.42
ADH5 P11766 4/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
MAP2K1 Q02750 4/20 0.39
MAP2K2 P36507 2/20 0.37
HTT P42858 1/20 0.37
F9 P00740 1/20 0.37
CYP3A4 P08684 1/20 0.37
BAZ2B Q9UIF8 1/20 0.37

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
SCHEMBL6948718 0.90 MAP2K1 (0.48) TNIKADH5LMNAMAPTPDE4A
SCHEMBL6952545 0.85 MAP2K1 (0.50) MAP2K1MAP2K2
SCHEMBL6945667 0.83 MAP2K1 (0.56) MAP2K1MAP2K2
SCHEMBL6944113 0.78 MAP2K1 (0.59) TNIKADH5MAP2K1MAP2K2F9
SCHEMBL5388138 0.76 MAP2K1 (0.60) MAP2K1MAP2K2
SCHEMBL6948913 0.74 MAP2K1 (0.43) MAPTMAP2K1MAP2K2
SCHEMBL6946266 0.73 MAP2K1 (0.42) MAP2K1MAP2K2
SCHEMBL6945746 0.73 MAP2K1 (0.42) MAP2K1MAP2K2
SCHEMBL6945853 0.72 MAP2K1 (0.41) MAP2K1MAP2K2
SCHEMBL7806590 0.71 MEN1 (0.44) TNIKADH5LMNAMAPTPDE4A

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