SCHEMBL2328489

SCHEMBL2328489

CS(=O)(=O)c1ccc(Cn2nc(C(N)=O)c(-c3nc(C(=O)O)c(-c4ccccc4)o3)n2)o1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.36
KDM4E B2RXH2 2/20 0.36
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SLC9A1 P19634 1/20 0.34
NR4A2 P43354 8/20 0.34
ADORA2A P29274 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
PTGS2 P35354 1/20 0.31
ALDH1A1 P00352 2/20 0.31
NR4A1 P22736 1/20 0.31
NR4A3 Q92570 1/20 0.31
RXRA P19793 2/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL2323238 0.85 IKBKB (0.40) IKBKBKDM4EPPARGNCOA2HSD17B10
SCHEMBL1704326 0.83 IKBKB (0.36) IKBKBKDM4EPPARGNCOA2HSD17B10
SCHEMBL2333861 0.80 IKBKB (0.38) IKBKBKDM4EPPARGNCOA2HSD17B10
SCHEMBL2331384 0.80 IKBKB (0.38) IKBKBKDM4EPPARGNCOA2HSD17B10
SCHEMBL2330806 0.78 IKBKB (0.35) IKBKBKDM4EPPARGNCOA2HSD17B10
SCHEMBL2327523 0.77 IKBKB (0.41) IKBKBKDM4EHSD17B10ALDH1A1RXRA
SCHEMBL2329098 0.77 MAPK14 (0.34) IKBKBKDM4EHSD17B10TSHR
SCHEMBL2328930 0.77 HCRTR1 (0.44) IKBKBSLC9A1NR4A2ADORA2AALDH1A1
SCHEMBL2327745 0.77 IKBKB (0.39) IKBKBKDM4EPPARGNCOA2HSD17B10
SCHEMBL2324582 0.77 IKBKB (0.39) IKBKBKDM4EPPARGNCOA2HSD17B10

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-2225231-B1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-08-17 EP claimed
EP-2225231-B1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-08-17 EP disclosed