SCHEMBL9753449

SCHEMBL9753449

O=P(O)(O)c1cnc2cccc(C(O)P(=O)(O)O)n12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 2/20 0.38
PGK2 P07205 2/20 0.38
NPSR1 Q6W5P4 1/20 0.31
GGPS1 O95749 1/20 0.30
FDPS P14324 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30

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
SCHEMBL8606791 0.84 LMNA (0.33) NPSR1
SCHEMBL8885524 0.84 PGK1 (0.37) PGK1PGK2
SCHEMBL9753593 0.81 ACP3 (0.30)
SCHEMBL9753684 0.79 GGPS1 (0.35) NPSR1GGPS1FDPS
SCHEMBL9753824 0.78
SCHEMBL8608843 0.77 EPHB3 (0.31)
SCHEMBL8605872 0.76 FDPS (0.33) GGPS1FDPS
SCHEMBL8609510 0.76 HDAC4 (0.34) NPSR1GGPS1FDPS
SCHEMBL8606805 0.75 PGK1 (0.39) PGK1PGK2GGPS1FDPS
SCHEMBL9753696 0.74 PTPN5 (0.30) FDPS

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0436831-A2 Imidazo[1,2-a]pyridinylalkyl compounds for treatment of neurotoxic injury G.D. Searle & Co. (US) 1991-07-17 EP claimed
WO-1991008211-A1 IMIDAZO[1,2-a]PYRIDINYLALKYL COMPOUNDS FOR TREATMENT OF NEUROTOXIC INJURY G.D. SEARLE & CO. (US) 1991-06-13 WO claimed
EP-0436831-A2 Imidazo[1,2-a]pyridinylalkyl compounds for treatment of neurotoxic injury G.D. Searle & Co. (US) 1991-07-17 EP disclosed
WO-1991008211-A1 IMIDAZO[1,2-a]PYRIDINYLALKYL COMPOUNDS FOR TREATMENT OF NEUROTOXIC INJURY G.D. SEARLE & CO. (US) 1991-06-13 WO disclosed