SCHEMBL8554829

SCHEMBL8554829

Cc1c(CCC(=O)O)nc2c(=O)[nH]c3cc(C(F)(F)F)ccc3n12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 4/20 0.61
PDE5A O76074 3/20 0.61
PPARG P37231 4/20 0.38
PPARA Q07869 4/20 0.38
TNKS O95271 1/20 0.37
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
HSP90AA1 P07900 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
CYP2C19 P33261 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
KMT2A Q03164 1/20 0.37
KCNMA1 Q12791 1/20 0.37

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
SCHEMBL8554724 0.89 PDE5A (0.48) PDE9APDE5ATNKSPARP1PARP2
SCHEMBL8557784 0.86 PDE5A (0.47) PDE9APDE5AMEN1CYP1A2HSP90AA1
SCHEMBL8553493 0.85 PDE9A (0.58) PDE9APDE5APPARGPPARATNKS
SCHEMBL31328139 0.84 PDE5A (0.52) PDE9APDE5AMEN1CYP1A2HSP90AA1
SCHEMBL7505355 0.84 PDE5A (0.52) PDE9APDE5AMEN1CYP1A2HSP90AA1
SCHEMBL8553602 0.82 PDE5A (0.41) PDE9APDE5AKMO
SCHEMBL7517883 0.81 PDE5A (0.48) PDE9APDE5AMEN1CYP1A2HSP90AA1
SCHEMBL8557272 0.81 CHEK1 (0.44) PDE9APDE5A
SCHEMBL8556953 0.80 PDE5A (0.48) PDE9APDE5AMEN1CYP1A2HSP90AA1
SCHEMBL9080896 0.80 PDE9A (0.70) PDE9APDE5ATNKSPARP1PARP2

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-0691970-B1 IMIDAZOLOQUINOXALINONE DERIVATIVES AS EAA ANTAGONISTS BASF AG (DE) 1998-11-11 EP claimed
EP-0691970-B1 IMIDAZOLOQUINOXALINONE DERIVATIVES AS EAA ANTAGONISTS BASF AG (DE) 1998-11-11 EP disclosed