SCHEMBL3784573

SCHEMBL3784573

O=S(=O)(Nc1ccc(F)c(F)c1Nc1ccc(I)cc1F)C1CC1c1ccc(O)cc1F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.46
MAP2K2 P36507 15/20 0.46
CA2 P00918 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
PIM1 P11309 1/20 0.38
CAMK2B Q13554 1/20 0.38

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
SCHEMBL3794912 0.87 MAP2K1 (0.41) MAP2K1MAP2K2CA2PIM1CAMK2B
SCHEMBL13063852 0.85 MAP2K1 (0.43) MAP2K1MAP2K2CA2HDAC3HDAC4
SCHEMBL387833 0.78 MAP2K1 (0.51) MAP2K1MAP2K2CA2HDAC3HDAC4
SCHEMBL391574 0.78 MAP2K1 (0.53) MAP2K1MAP2K2CA2HDAC3HDAC4
SCHEMBL392673 0.77 MAP2K1 (0.50) MAP2K1MAP2K2CA2
SCHEMBL3795881 0.76 MAP2K1 (0.52) MAP2K1MAP2K2CA2
SCHEMBL392027 0.75 MAP2K1 (0.58) MAP2K1MAP2K2CA2PIM1CAMK2B
SCHEMBL10251094 0.73 MAP2K1 (0.48) MAP2K1MAP2K2CA2HDAC3HDAC4
SCHEMBL10254679 0.72 MAP2K1 (0.45) MAP2K1MAP2K2CA2HDAC3HDAC4
SCHEMBL13063785 0.70 MAP2K1 (0.56) MAP2K1MAP2K2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010145197-A1 NOVEL 6-ARYLAMINO PYRIDONE SULFONAMIDES AND 6-ARYLAMINO PYRAZINONE SULFONAMDIES AS MEK INHIBITORS CHEMIZON (BEIJING), LTD. (CN) 2010-12-23 WO disclosed