SCHEMBL2334798

SCHEMBL2334798

CC(=O)c1csc(Cn2nc(C(N)=O)c(-c3nc(C(=O)O)c(-c4ccccc4)o3)n2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 6/20 0.39
IKBKB O14920 1/20 0.38
KDM4E B2RXH2 1/20 0.36
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MMP1 P03956 2/20 0.34
MMP2 P08253 2/20 0.34
MMP9 P14780 2/20 0.34
MMP13 P45452 2/20 0.34
FPR2 P25090 2/20 0.33
LDHA P00338 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
ADORA2A P29274 2/20 0.32
CYP2C9 P11712 1/20 0.32
TBXA2R P21731 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 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
SCHEMBL2332145 0.92 MMP1 (0.38) PTGER1IKBKBKDM4EMMP1MMP2
SCHEMBL2328798 0.91 PTGER1 (0.38) PTGER1IKBKBKDM4EMMP1MMP2
SCHEMBL2329257 0.91 IKBKB (0.43) PTGER1IKBKBFPR2LDHAADORA2A
SCHEMBL2324749 0.89 IKBKB (0.46) PTGER1IKBKBKDM4EHSD17B10FPR2
SCHEMBL2327504 0.89 PTGER1 (0.38) PTGER1IKBKBADORA2A
SCHEMBL2326938 0.87 LDHA (0.39) PTGER1IKBKBFPR2LDHAADORA2A
SCHEMBL1703980 0.85 PTGER1 (0.35) PTGER1IKBKBKDM4EPPARGNCOA2
SCHEMBL2327721 0.85 FPR2 (0.47) IKBKBKDM4EPPARGNCOA2HSD17B10
SCHEMBL2327745 0.84 IKBKB (0.39) IKBKBKDM4EPPARGNCOA2HSD17B10
SCHEMBL2324724 0.84 IKBKB (0.37) 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