SCHEMBL7954338

SCHEMBL7954338

CC(c1ccccc1)n1c(=O)c([I+]c2ccccc2)c([O-])c2cccnc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.41
GRM4 Q14833 1/20 0.35
PDE4A P27815 3/20 0.35
PDE4B Q07343 3/20 0.35
PDE4C Q08493 3/20 0.35
PDE4D Q08499 3/20 0.35
KAT2B Q92831 2/20 0.34
KAT2A Q92830 1/20 0.34
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
BRD4 O60885 1/20 0.33
MET P08581 1/20 0.33
FEN1 P39748 1/20 0.33
MAPT P10636 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
SCHEMBL5871920 0.81 FEN1 (0.45) GRM4PDE4APDE4BPDE4CPDE4D
SCHEMBL5872307 0.78 CCNA2 (0.39) PTGDR2PDE4APDE4BPDE4CPDE4D
SCHEMBL5871709 0.77 FEN1 (0.50) PDE4APDE4BPDE4CPDE4DKAT2B
SCHEMBL5872030 0.76 PDE4D (0.43) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL5871960 0.74 CNR1 (0.45) PTGDR2PDE4APDE4BPDE4CPDE4D
SCHEMBL7945856 0.73 HDAC1 (0.48) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL1522267 0.69 PTGDR2 (0.44) PTGDR2GRM4PDE4APDE4BPDE4C
SCHEMBL2346624 0.69 PTGDR2 (0.44) PTGDR2GRM4PDE4APDE4BPDE4C
SCHEMBL10659261 0.69 LDHA (0.38) PTGDR2GRM4PDE4APDE4BPDE4C
SCHEMBL5871439 0.68 LIPG (0.43) MAPT

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
US-6245779-B1 ANALGESICS; ANTIINFLAMMATORY AGENTS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-06-12 US disclosed
EP-0997463-A1 NAPHTHYRIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2000-05-03 EP disclosed