SCHEMBL7806743

SCHEMBL7806743

CS(=O)(=O)c1ccc(-c2cn[nH]c(=O)c2Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.47
PTGS1 P23219 6/20 0.43
ABCC4 O15439 1/20 0.42
ABCB11 O95342 1/20 0.42
PDE4D Q08499 1/20 0.42
MAPK14 Q16539 1/20 0.42
METAP2 P50579 1/20 0.42

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
SCHEMBL4185952 0.83 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL4804927 0.80 MAPT (0.48) MAPK14METAP2
SCHEMBL6601415 0.78 PTGS2 (0.59) PTGS2PTGS1METAP2
SCHEMBL3867881 0.77 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL7827933 0.76 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL4181720 0.74 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL4183493 0.72 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL4189225 0.72 PTGS2 (0.51) PTGS2PTGS1METAP2
SCHEMBL20818336 0.72 GSTP1 (0.50)
SCHEMBL30610192 0.71 METAP2 (0.64) PTGS2PTGS1ABCC4ABCB11PDE4D

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-1124804-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2001-08-22 EP disclosed
WO-2000024719-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2000-05-04 WO disclosed