SCHEMBL8065691

SCHEMBL8065691

O=P(O)(CCCc1cccnc1)Nc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.53
FDPS P14324 2/20 0.51
TBXAS1 P24557 7/20 0.50
PTAFR P25105 2/20 0.48
EPHX2 P34913 1/20 0.47
LTA4H P09960 1/20 0.47
CYP2A6 P11509 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL8082818 0.92 FDPS (0.54) CHRNA7FDPSTBXAS1PTAFRLTA4H
SCHEMBL5059827 0.78 CHRNA7 (0.47) CHRNA7FDPSTBXAS1PTAFREPHX2
SCHEMBL5054779 0.77 TBXAS1 (0.52) CHRNA7FDPSTBXAS1PTAFREPHX2
SCHEMBL7641415 0.76 TBXAS1 (0.54) CHRNA7FDPSTBXAS1PTAFREPHX2
SCHEMBL8061328 0.74 L3MBTL1 (0.40) FDPSL3MBTL1
SCHEMBL7643801 0.74 CYP1A2 (0.52)
SCHEMBL7604392 0.73 TBXAS1 (0.54) CHRNA7TBXAS1PTAFR
SCHEMBL5661023 0.73 FDPS (0.62) CHRNA7FDPSTBXAS1CYP2A6
SCHEMBL8199794 0.72 TDP1 (0.71) CHRNA7TBXAS1PTAFRCYP2A6TDP1
SCHEMBL8200325 0.72 CYP2A6 (0.68) CHRNA7TBXAS1CYP2A6TDP1L3MBTL1

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-1005348-A1 NAALADASE COMPOSITIONS AND METHODS FOR TREATING GLUTAMATE ABNORMALITY AND EFFECTING NEURONAL ACTIVITY IN ANIMALS GUILFORD PHARMACEUTICALS INC. (US) 2000-06-07 EP disclosed
WO-1998013046-A1 NAALADASE COMPOSITIONS AND METHODS FOR TREATING GLUTAMATE ABNORMALITY AND EFFECTING NEURONAL ACTIVITY IN ANIMALS GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 WO disclosed