SCHEMBL2328798

SCHEMBL2328798

CC(=O)c1csc(Cn2nc(C(N)=O)c(-c3nc(C(=O)O)c(-c4cccc(F)c4)o3)n2)n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 6/20 0.38
LDHA P00338 1/20 0.34
MMP1 P03956 2/20 0.34
MMP2 P08253 2/20 0.34
MMP9 P14780 2/20 0.34
MMP13 P45452 2/20 0.34
SLC9A1 P19634 1/20 0.34
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
ALDH1A1 P00352 1/20 0.33
FPR2 P25090 1/20 0.33
PTPN11 Q06124 3/20 0.33
ADORA2A P29274 1/20 0.33
IKBKB O14920 2/20 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
SCHEMBL2334798 0.91 PTGER1 (0.39) PTGER1LDHAMMP1MMP2MMP9
SCHEMBL2329257 0.90 IKBKB (0.43) PTGER1LDHASLC9A1FPR2PTPN11
SCHEMBL2332145 0.90 MMP1 (0.38) PTGER1LDHAMMP1MMP2MMP9
SCHEMBL2327504 0.89 PTGER1 (0.38) PTGER1SMN1; SMN2ADORA2AIKBKB
SCHEMBL2324749 0.89 IKBKB (0.46) PTGER1LDHAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL2326938 0.88 LDHA (0.39) PTGER1LDHAFPR2ADORA2AIKBKB
SCHEMBL1704592 0.88 FPR2 (0.37) PTGER1SLC9A1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL2327822 0.84 TRPM8 (0.36) PTGER1SLC9A1KDM4ESMN1; SMN2TRPM8
SCHEMBL2332690 0.83 NR4A1 (0.37) SLC9A1KDM4ESMN1; SMN2TRPM8ALDH1A1
SCHEMBL1703850 0.80 FPR2 (0.42) PTGER1SLC9A1FPR2

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