SCHEMBL9753705

SCHEMBL9753705

O=P(O)(O)c1cn2c(P(=O)(O)O)cccc2n1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.34
PGK1 P00558 4/20 0.32
PGK2 P07205 4/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL8608456 0.80 PTGS1 (0.36) FBP1GAAKDM4EGLAHPGD
SCHEMBL8606880 0.79 PGK1 (0.42) FBP1PGK1PGK2GAA
SCHEMBL8606782 0.78 PTGS1 (0.49) GAAKDM4ENPC1
SCHEMBL9753823 0.78 PGK1 (0.38) FBP1PGK1PGK2
SCHEMBL9753860 0.77 PGK1 (0.51) PGK1PGK2GAAKDM4ENPC1
SCHEMBL8605305 0.77 ALDH1A1 (0.33) GAAKDM4EALDH1A1
SCHEMBL8608520 0.75 PGK1 (0.32) PGK1PGK2GAA
Methyl Alcohol SCHEMBL9753897 0.75 ALDH1A1 (0.35) GAAKDM4EALDH1A1HSD17B10NPSR1
SCHEMBL9753831 0.74 GAA (0.31) GAA
SCHEMBL8608929 0.73

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