SCHEMBL2332145

SCHEMBL2332145

CC(=O)c1csc(Cn2nc(C(N)=O)c(-c3nc(C(=O)O)c(-c4ccc(F)cc4)o3)n2)n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.38
MMP13 P45452 2/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
PTGER1 P34995 4/20 0.34
LDHA P00338 1/20 0.33
MAPK14 Q16539 3/20 0.32
IKBKB O14920 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
GRM2 Q14416 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 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
SCHEMBL2334798 0.92 PTGER1 (0.39) MMP1MMP13MMP2MMP9PTGER1
SCHEMBL2328798 0.90 PTGER1 (0.38) MMP1MMP13MMP2MMP9PTGER1
SCHEMBL1703858 0.87 RAB9A (0.33) MMP1MMP13MMP2MMP9PTGER1
SCHEMBL2329257 0.85 IKBKB (0.43) PTGER1LDHAIKBKBNPC1RAB9A
SCHEMBL2327504 0.83 PTGER1 (0.38) PTGER1IKBKB
SCHEMBL2324749 0.83 IKBKB (0.46) PTGER1LDHAIKBKBKDM4EALDH1A1
SCHEMBL2331664 0.83 MAPK14 (0.34) MAPK14IKBKB
SCHEMBL2326938 0.83 LDHA (0.39) PTGER1LDHAMAPK14IKBKB
SCHEMBL2329098 0.82 MAPK14 (0.34) MAPK14IKBKBKDM4EGRM2MAPT
SCHEMBL1703980 0.80 PTGER1 (0.35) PTGER1IKBKBKDM4EALDH1A1

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