SCHEMBL2327745

SCHEMBL2327745

CC(=O)c1cccc(Cn2nc(C(N)=O)c(-c3nc(C(=O)O)c(-c4ccccc4)o3)n2)n1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.39
KDM4E B2RXH2 2/20 0.36
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ADORA2A P29274 1/20 0.35
ALDH1A1 P00352 1/20 0.34
NR4A2 P43354 2/20 0.34
POLB P06746 1/20 0.33
GAA P10253 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
SCHEMBL2332736 0.84 IKBKB (0.38) IKBKBKDM4EPPARGNCOA2HSD17B10
SCHEMBL2331384 0.84 IKBKB (0.38) IKBKBKDM4EPPARGNCOA2HSD17B10
SCHEMBL2327721 0.84 FPR2 (0.47) IKBKBKDM4EPPARGNCOA2HSD17B10
SCHEMBL2334798 0.84 PTGER1 (0.39) IKBKBKDM4EPPARGNCOA2HSD17B10
SCHEMBL2330919 0.83 IKBKB (0.38) IKBKBKDM4EPPARGNCOA2HSD17B10
SCHEMBL2327152 0.83 IKBKB (0.37) IKBKBKDM4EPPARGNCOA2HSD17B10
SCHEMBL2327778 0.82 SMN1; SMN2 (0.39) IKBKBKDM4EPPARGNCOA2HSD17B10
SCHEMBL2323238 0.82 IKBKB (0.40) IKBKBKDM4EPPARGNCOA2HSD17B10
SCHEMBL2324582 0.81 IKBKB (0.39) IKBKBKDM4EPPARGNCOA2HSD17B10
SCHEMBL2333861 0.80 IKBKB (0.38) 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