SCHEMBL8334108

SCHEMBL8334108

CC(C)(C)Cn1c(-c2ccccc2OP(=O)(O)O)nc2c(Cl)ncnc21

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 11/20 0.45
CNR2 P34972 5/20 0.35
CNR1 P21554 4/20 0.35
GRM2 Q14416 2/20 0.34
FDPS P14324 1/20 0.33

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
SCHEMBL5357251 0.87 FBP1 (0.39) FBP1CNR2CNR1GRM2
SCHEMBL5362792 0.81 FBP1 (0.41) FBP1CNR2CNR1
SCHEMBL5367608 0.67 FBP1 (0.39) FBP1GRM2FDPS
SCHEMBL12264875 0.67 CNR2 (0.57) CNR2CNR1
SCHEMBL4955833 0.65 FBP1 (0.65) FBP1
SCHEMBL5362049 0.63 FBP1 (0.36) FBP1FDPS
SCHEMBL10773261 0.62 BRD4 (0.47) FDPS
SCHEMBL9645945 0.62 INPPL1 (0.61)
SCHEMBL13741964 0.61 FBP1 (1.00) FBP1
SCHEMBL30983966 0.61 MEN1 (0.46) FBP1

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
WO-1998039344-A9 NOVEL PURINE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE 1999-01-21 WO disclosed
WO-1998039344-A1 NOVEL PURINE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE METABASIS THERAPEUTICS, INC. (US) 1998-09-11 WO disclosed