SCHEMBL5350907

SCHEMBL5350907

CS(=O)(=O)c1ccc(-c2cccnc2N)cc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.63
PTGS1 P23219 3/20 0.63
MKNK1 Q9BUB5 1/20 0.55
MKNK2 Q9HBH9 1/20 0.55
MAP4K4 O95819 4/20 0.54
MINK1 Q8N4C8 2/20 0.54
FYN P06241 1/20 0.54
TNIK Q9UKE5 1/20 0.54
JAK2 O60674 1/20 0.49
KCNH2 Q12809 2/20 0.48
PIK3CA P42336 1/20 0.48
PI4KB Q9UBF8 1/20 0.48
DRD1 P21728 1/20 0.48

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
SCHEMBL8029364 0.85 CA2 (0.61) PTGS2PTGS1MKNK1MKNK2MAP4K4
SCHEMBL27928727 0.84 MKNK1 (0.53) PTGS2PTGS1MKNK1MKNK2MAP4K4
SCHEMBL15730118 0.83 PTGS2 (0.67) PTGS2PTGS1MKNK1MKNK2DRD1
SCHEMBL29964465 0.83 MKNK1 (0.51) PTGS2PTGS1MKNK1MKNK2MAP4K4
SCHEMBL15408950 0.81 PTGS2 (0.57) PTGS2PTGS1MKNK1MKNK2MAP4K4
SCHEMBL25339185 0.80 PTGS2 (0.63) PTGS2PTGS1DRD1
SCHEMBL6170026 0.80 PTGS2 (0.63) PTGS2PTGS1DRD1
SCHEMBL14555904 0.79 PTGS2 (0.61) PTGS2PTGS1DRD1
SCHEMBL8442044 0.78 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL1826205 0.78 PTGS2 (0.60) PTGS2PTGS1DRD1

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
CN-102812006-B Novel antimalaria reagent MMV MEDICINES FOR MALARIA VENTURE (CH) 2016-01-20 CN claimed
CN-102812006-B Novel antimalaria reagent MMV MEDICINES FOR MALARIA VENTURE (CH) 2016-01-20 CN disclosed
WO-2007129169-A2 COX- II INHIBITORS FOR IMPROVING REPRODUCTIVE SUCCESS IN A FEMALE ANIMAL PFIZER LIMITED (GB) 2007-11-15 WO disclosed
EP-1282423-A2 PREVENTION OF INSULIN-DEPENDENT DIABETES, COMPLICATIONS THEREOF, OR ALLOGRAFT REJECTION BY INHIBITION OF CYCLOOXYGENASE-2 ACTIVITY WITH NS398 OR PDTC Oklahoma Medical Research Foundation (US) 2003-02-12 EP disclosed
US-20030017148-A1 Prevention of insulin-dependent diabetes, complications thereof, or allograft rejection by inhibition of cyclooxygenase-2 activity OKLAHOMA MEDICAL RESEARCH FOUNDATION 2003-01-23 US disclosed
WO-2001085175-A2 PREVENTION OF INSULIN-DEPENDENT DIABETES, COMPLICATIONS THEREOF, OR ALLOGRAFT REJECTION BY INHIBITION OF CYCLOOXYGENASE-2 ACTIVITY WITH NS398 OR PDTC OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 2001-11-15 WO disclosed