SCHEMBL8553602

SCHEMBL8553602

Cc1c(CCC(=O)O)nc2c(=O)[nH]c3cc(C(F)(F)F)c(Cl)cc3n12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.41
PDE9A O76083 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GALK1 P51570 1/20 0.40
GRIA1 P42261 3/20 0.39
GRIA2 P42262 3/20 0.39
GRIA3 P42263 3/20 0.39
GRIA4 P48058 3/20 0.39
GRIN2D O15399 2/20 0.39
GRIN3B O60391 2/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2A Q12879 2/20 0.39
GRIN2B Q13224 2/20 0.39
GRIN2C Q14957 2/20 0.39
GRIN3A Q8TCU5 2/20 0.39
KMO O15229 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
SCHEMBL8555427 0.89 KDM4E (0.42) ALDH1A1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8557480 0.85 CHEK1 (0.47) PDE5APDE9AGRIA1GRIA2GRIA3
SCHEMBL8556805 0.85 CHEK1 (0.47) PDE5APDE9AGRIA1GRIA2GRIA3
SCHEMBL8560788 0.85 GRIN2D (0.43) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL8554829 0.82 PDE9A (0.61) PDE5APDE9AKMO
SCHEMBL8559477 0.82 CHEK1 (0.51) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL8556735 0.81 ADORA3 (0.48) ALDH1A1KMO
SCHEMBL8555550 0.80 CHEK1 (0.56)
SCHEMBL8556101 0.80 GRIN2D (0.39) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL8553609 0.79 GRIA1 (0.38) GRIA1GRIA2GRIA3GRIA4GRIN2D

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