SCHEMBL9433339

SCHEMBL9433339

Cn1c(=O)c(=O)[nH]c2cnccc21

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.47
GRIA2 P42262 1/20 0.47
GRIA3 P42263 1/20 0.47
GRIA4 P48058 1/20 0.47
ADORA3 P0DMS8 2/20 0.47
ADORA2A P29274 2/20 0.47
ADORA1 P30542 2/20 0.47
PARP1 P09874 3/20 0.44
DAO P14920 3/20 0.42
KDM5A P29375 6/20 0.41
FEN1 P39748 1/20 0.38
KDM5B Q9UGL1 2/20 0.38
KDM5C P41229 1/20 0.38
PARG Q86W56 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
SCHEMBL9432790 0.86 DAO (0.56) GRIA1GRIA2GRIA3GRIA4ADORA3
SCHEMBL4312246 0.82 DAO (0.50) ADORA3ADORA2AADORA1DAOFEN1
SCHEMBL9329970 0.79 GRIA1 (0.51) GRIA1GRIA2GRIA3GRIA4ADORA3
SCHEMBL22892410 0.75 PSMB8 (0.56) ADORA3ADORA2AADORA1DAO
SCHEMBL9432802 0.74 OPRL1 (0.49) PARP1DAO
SCHEMBL29580191 0.74 PSMB8 (0.55) GRIA1GRIA2GRIA3GRIA4ADORA3
SCHEMBL4706735 0.74 PSMB8 (0.55) GRIA1GRIA2GRIA3GRIA4ADORA3
SCHEMBL30774518 0.71 ADORA3 (0.39) GRIA1GRIA2GRIA3GRIA4ADORA3
SCHEMBL4036186 0.71 PARP1 (0.42) PARP1DAOKDM5AKDM5BKDM5C
SCHEMBL7359339 0.70 GRIA1 (0.57) GRIA1GRIA2GRIA3GRIA4ADORA2A

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-5281589-A Pharmaceuticals CHEIL FOODS & CHEMICALS, INC. (KR) 1994-01-25 US disclosed
WO-1992022556-A1 NOVEL 3-FUSED PYRIDINIUMMETHYL CEPHALOSPORINS CHEIL FOODS & CHEMICALS, INC. (KR) 1992-12-23 WO disclosed