SCHEMBL4440557

SCHEMBL4440557

CS(=O)(=O)C(N)c1ccccc1B(O)O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30
ACHE P22303 1/20 0.30
LIPG Q9Y5X9 1/20 0.30

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
SCHEMBL690304 0.73 ALDH1A1 (0.45) L3MBTL1TSHRSMN1; SMN2CA1CA2
SCHEMBL15761490 0.71 ENPP2 (0.41) ENPP2TSHRCA1CA2LIPG
SCHEMBL21270 0.71 GABRA1 (0.54) ENPP2TSHRCA1CA2LIPG
SCHEMBL29430856 0.71 GABRA1 (0.54) ENPP2TSHRCA1CA2LIPG
SCHEMBL2247879 0.69 ENPP2 (0.43) ENPP2TSHRCA1CA2LIPG
SCHEMBL3762332 0.68 ENPP2 (0.52) ENPP2TSHRCA1CA2LIPG
SCHEMBL2558207 0.68 GABBR2 (0.40) TSHRSMN1; SMN2
SCHEMBL2360079 0.67 DPP4 (0.46)
SCHEMBL29951757 0.67 ENPP2 (0.41) ENPP2TSHRCA1CA2LIPG
SCHEMBL29468969 0.67 ENPP2 (0.41) ENPP2TSHRCA1CA2LIPG

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-2120579-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2009-11-25 EP disclosed
WO-2008083027-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2008-07-10 WO disclosed