SCHEMBL6092041

SCHEMBL6092041

Cc1ccc(S(=O)(=O)N(N)P(=O)(O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
MCOLN3 Q8TDD5 1/20 0.47
CA12 O43570 4/20 0.45
CA9 Q16790 4/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA3 P07451 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
MMP2 P08253 2/20 0.45
CA14 Q9ULX7 1/20 0.45
C5AR1 P21730 1/20 0.44
AGER Q15109 1/20 0.44
GAA P10253 1/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
GLA P06280 1/20 0.42
F2 P00734 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
SCHEMBL4402780 0.76 MAPT (0.57) MAPTMCOLN3CA12CA9CA1
SCHEMBL24770891 0.76 CA12 (0.62) MAPTMCOLN3CA12CA9CA1
SCHEMBL420472 0.74 MAPT (0.61) MAPTMCOLN3CA12CA9CA1
SCHEMBL7753501 0.72 MAPT (0.53) MAPTMCOLN3CA12CA9CA1
SCHEMBL29290107 0.72 AGER (0.55) MAPTMCOLN3CA12CA9CA1
SCHEMBL27792785 0.72 ALDH1A1 (0.50) MAPTMCOLN3CA12CA9CA1
SCHEMBL11335795 0.71 MAPT (0.57) MAPTMCOLN3CA12CA9CA1
SCHEMBL9811625 0.71 MAPT (0.57) MAPTMCOLN3CA12CA9CA1
SCHEMBL30108928 0.71 MAPT (0.57) MAPTMCOLN3CA12CA9CA1
SCHEMBL7946990 0.71 MAPT (0.62) MAPTMCOLN3CA12CA9CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7005440-B1 Therapeutic uses of tri-aryl acid derivatives AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2006-02-28 US disclosed
EP-1177176-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS Aventis Pharma Deutschland GmbH (DE) 2002-02-06 EP disclosed
WO-2000064876-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-02 WO disclosed