SCHEMBL9753860

SCHEMBL9753860

O=P(O)(O)Cc1cn2c(P(=O)(O)O)cccc2n1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.51
PGK2 P07205 1/20 0.51
RAB9A P51151 4/20 0.37
TP53 P04637 1/20 0.37
ACP3 P15309 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL9753705 0.77 FBP1 (0.34) PGK1PGK2NPC1GAAKDM4E
SCHEMBL8606782 0.73 PTGS1 (0.49) RAB9ATP53MAPTNPC1GAA
SCHEMBL8606880 0.71 PGK1 (0.42) PGK1PGK2ACP3SMN1; SMN2GAA
SCHEMBL8607760 0.66 PTGS1 (0.44) PGK1PGK2RAB9ATP53ACP3
SCHEMBL8606805 0.65 PGK1 (0.39) PGK1PGK2ACP3SMN1; SMN2
SCHEMBL103693 0.64 MAPT (0.55) RAB9ATP53SMN1; SMN2MAPTMEN1
SCHEMBL10515790 0.62 RAB9A (0.54) RAB9ATP53SMN1; SMN2MAPTMEN1
SCHEMBL4542167 0.62 PGK1 (0.74) PGK1PGK2ACP3SMN1; SMN2
SCHEMBL9753684 0.61 GGPS1 (0.35)
SCHEMBL8608520 0.61 PGK1 (0.32) PGK1PGK2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991008211-A1 IMIDAZO[1,2-a]PYRIDINYLALKYL COMPOUNDS FOR TREATMENT OF NEUROTOXIC INJURY G.D. SEARLE & CO. (US) 1991-06-13 WO disclosed