SCHEMBL8553493

SCHEMBL8553493

O=C(O)CCc1nc2c(=O)[nH]c3cc(C(F)(F)F)ccc3n2c1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 4/20 0.58
PDE5A O76074 3/20 0.58
TNKS O95271 1/20 0.41
PARP1 P09874 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
RXRA P19793 2/20 0.40
RXRB P28702 2/20 0.40
RXRG P48443 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
NPBWR1 P48145 1/20 0.38
HDAC6 Q9UBN7 2/20 0.37
CTSK P43235 1/20 0.37
DGAT1 O75907 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL8558570 0.89 KDM4E (0.48) PDE9APDE5AKDM4EALDH1A1HPGD
SCHEMBL8554829 0.85 PDE9A (0.61) PDE9APDE5ATNKSPARP1PARP2
SCHEMBL8555764 0.83 PDE5A (0.49) PDE9APDE5ATNKSPARP1PARP2
SCHEMBL8557792 0.80 PDE5A (0.47) PDE9APDE5ATNKSPARP1PARP2
SCHEMBL8554950 0.79 PDE5A (0.44) PDE9APDE5AKDM4EALDH1A1HPGD
SCHEMBL9080896 0.78 PDE9A (0.70) PDE9APDE5ATNKSPARP1PARP2
SCHEMBL8557199 0.77 PDE5A (0.43) PDE9APDE5AKDM4EALDH1A1HPGD
SCHEMBL8554724 0.75 PDE5A (0.48) PDE9APDE5ATNKSPARP1PARP2
SCHEMBL3581407 0.75 PDE9A (0.69) PDE9APDE5APPARGPPARAMEN1
SCHEMBL3491941 0.74 PDE9A (1.00) 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