SCHEMBL5090048

SCHEMBL5090048

O=S(=O)(Nc1ccc(F)c(F)c1Nc1ccc(I)cc1F)c1cccc(Cl)c1Cl

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 8/20 0.51
ACLY P53396 2/20 0.51
MAP2K1 Q02750 6/20 0.47
MAP2K2 P36507 5/20 0.47
SGK1 O00141 2/20 0.44
CCR2 P41597 1/20 0.42
BRAF P15056 1/20 0.41

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
SCHEMBL2146366 0.87 PTGES2 (0.61) PTGES2ACLYSGK1
SCHEMBL391013 0.85 MAP2K1 (0.52) PTGES2MAP2K1MAP2K2
SCHEMBL392182 0.84 MAP2K1 (0.49) ACLYMAP2K1MAP2K2CCR2
SCHEMBL388160 0.80 MAP2K1 (0.47) ACLYMAP2K1MAP2K2
SCHEMBL389927 0.80 MAP2K1 (0.45) MAP2K1MAP2K2
SCHEMBL391179 0.79 MAP2K1 (0.57) MAP2K1MAP2K2
SCHEMBL9994842 0.78 MAP2K1 (0.47) MAP2K1MAP2K2BRAF
SCHEMBL901366 0.78 MAP2K1 (0.47) PTGES2ACLYMAP2K1MAP2K2CCR2
SCHEMBL392146 0.78 BRD4 (0.46) MAP2K1MAP2K2
SCHEMBL391758 0.77 MAP2K1 (0.48) PTGES2MAP2K1MAP2K2BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912636-A2 N-(ARYLAMINO)-SULFONAMIDE INHIBITORS OF MEK Ardea Biosciences, Inc. (US) 2008-04-23 EP disclosed
WO-2007014011-A2 N-(ARYLAMINO)-SULFONAMIDE INHIBITORS OF MEK ARDEA BIOSCIENCES, INC. (US) 2007-02-01 WO disclosed