SCHEMBL3969689

SCHEMBL3969689

N#Cc1ccc(S(=O)(=O)n2cccc2C=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPME1 Q9Y570 10/20 0.64
APEH P13798 1/20 0.48
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CTSG P08311 1/20 0.40
CMA1 P23946 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CYP19A1 P11511 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL1616366 0.80 PPME1 (0.60) PPME1APEHL3MBTL1
SCHEMBL3964674 0.80 PPME1 (0.58) PPME1APEH
SCHEMBL3968075 0.80 PPME1 (0.55) PPME1APEH
SCHEMBL2457308 0.80 RAPGEF4 (0.58) PPME1APEHGAAL3MBTL1CA1
SCHEMBL3967048 0.76 PPME1 (0.43) PPME1APEH
SCHEMBL3964676 0.76 PPME1 (0.45) PPME1APEH
SCHEMBL3969097 0.72 NOD1 (0.43) PPME1APEH
SCHEMBL3966831 0.70 MET (0.49) PPME1MAPT
SCHEMBL9588098 0.70 HTR6 (0.69) PPME1L3MBTL1MAPT
SCHEMBL1156699 0.69 PAX8 (0.41) PPME1GAAL3MBTL1CTSGCMA1

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-2009044147-A1 INDOLIZINE DERIVATIVES WITH CRTH2 RECEPTOR AFFINITY FOR THE TREATMENT OF INFLAMMATORY DISEASES ARGENTA DISCOVERY LIMITED (GB) 2009-04-09 WO disclosed