SCHEMBL4367850

SCHEMBL4367850

NS(=O)(=O)c1ccc(-c2cnn[nH]2)cc1-c1cnn[nH]1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.34
ALOX5AP P20292 4/20 0.34
FEN1 P39748 4/20 0.34
TRPV1 Q8NER1 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL15258637 0.80 CA1 (0.40) ALOX5APFEN1TRPV1CA12CA1
SCHEMBL4552526 0.73 MKNK1 (0.38)
SCHEMBL13411815 0.70 POLB (0.33)
SCHEMBL5020117 0.68 AKR1C3 (0.33)
SCHEMBL1422834 0.67 CA2 (0.43) ALOX5APFEN1CA12CA1CA2
SCHEMBL5020178 0.65 ASIC3 (0.48)
SCHEMBL5020152 0.64 MAP4K4 (0.47)
SCHEMBL29020499 0.64 CYP11B1 (0.54) CA12
SCHEMBL4543284 0.64 ALDH1A1 (0.45) LRRK2ALOX5APFEN1CA12CA1
SCHEMBL671916 0.63 CA1 (0.50) ALOX5APFEN1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2054056-A2 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE The J. David Gladstone Institutes, A Testamentary Trust Established under The Will of J. David Gladstone (US) 2009-05-06 EP claimed
WO-2008022286-A2 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2008-02-21 WO claimed
EP-2054056-A2 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE The J. David Gladstone Institutes, A Testamentary Trust Established under The Will of J. David Gladstone (US) 2009-05-06 EP disclosed
WO-2008022286-A2 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2008-02-21 WO disclosed