SCHEMBL2331737

SCHEMBL2331737

CC(=O)c1ncc(Cn2nc(C(N)=O)c(-c3nc(C(=O)O)c(-c4ccccc4)o3)n2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 8/20 0.38
PPARG P37231 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
NCOA2 Q15596 1/20 0.36
ADORA2A P29274 2/20 0.34
OGA O60502 2/20 0.33
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL2324582 0.86 IKBKB (0.39) IKBKBPPARGKDM4EHSD17B10NCOA2
SCHEMBL2324724 0.85 IKBKB (0.37) IKBKBPPARGKDM4EHSD17B10NCOA2
SCHEMBL2332736 0.85 IKBKB (0.38) IKBKBPPARGKDM4EHSD17B10NCOA2
SCHEMBL2333861 0.83 IKBKB (0.38) IKBKBPPARGKDM4EHSD17B10NCOA2
SCHEMBL2330217 0.83 IKBKB (0.38) IKBKBPPARGKDM4EHSD17B10NCOA2
SCHEMBL2334798 0.81 PTGER1 (0.39) IKBKBPPARGKDM4EHSD17B10NCOA2
SCHEMBL2323238 0.81 IKBKB (0.40) IKBKBPPARGKDM4EHSD17B10NCOA2
SCHEMBL2330919 0.81 IKBKB (0.38) IKBKBPPARGKDM4EHSD17B10NCOA2
SCHEMBL2331276 0.81 POLB (0.41) IKBKBPPARGKDM4EHSD17B10NCOA2
SCHEMBL2327745 0.80 IKBKB (0.39) IKBKBPPARGKDM4EHSD17B10NCOA2

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