SCHEMBL9588283

SCHEMBL9588283

O=C(O)c1nc2c(CP(=O)(O)O)cccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.48
▸ GRIN3B O60391 1/20 0.48
▸ GRIN1 Q05586 1/20 0.48
▸ GRIN2A Q12879 1/20 0.48
▸ GRIN2B Q13224 1/20 0.48
▸ GRIN2C Q14957 1/20 0.48
▸ GRIN3A Q8TCU5 1/20 0.48
▸ CNR2 P34972 8/20 0.43
▸ ACP3 P15309 1/20 0.43
▸ PGK1 P00558 1/20 0.40
▸ PGK2 P07205 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MAOB P27338 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ PIN1 Q13526 1/20 0.36

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
SCHEMBL9587955 0.87 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9589166 0.86 CNR2 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9587953 0.81 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9589046 0.78 GRIN1 (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9588105 0.78 CHRM1 (0.46) CNR2KDM4E
SCHEMBL9588644 0.78 GRIN1 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9588521 0.78 CNR2 (0.41) CNR2KDM4EHPGDPIN1
SCHEMBL3658175 0.77 CNR2 (0.40) CNR2KDM4EHPGDPIN1
SCHEMBL9588297 0.77 GRIN2D (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9591447 0.76 MEN1 (0.43) CNR2KDM4E

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
US-5216003-A Antihypoxic, antiischemic agents G. D. SEARLE & CO. (US) 1993-06-01 — — US claimed
US-5216003-A Antihypoxic, antiischemic agents G. D. SEARLE & CO. (US) 1993-06-01 — — US disclosed
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