SCHEMBL9589166

SCHEMBL9589166

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 9/20 0.41
▸ PNP P00491 1/20 0.38
▸ GRIN2D O15399 1/20 0.37
▸ GRIN3B O60391 1/20 0.37
▸ GRIN1 Q05586 1/20 0.37
▸ GRIN2A Q12879 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ GRIN2C Q14957 1/20 0.37
▸ GRIN3A Q8TCU5 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ DAGLA Q9Y4D2 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
SCHEMBL9588254 0.88 PARP1 (0.40) CNR2PNP
SCHEMBL9588283 0.86 GRIN2D (0.48) CNR2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9588105 0.82 CHRM1 (0.46) CNR2KDM4E
SCHEMBL9591447 0.80 MEN1 (0.43) CNR2KDM4EDAGLA
SCHEMBL9587953 0.79 GRIN2D (0.49) CNR2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9589172 0.78 PNP (0.35) PNPGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9588521 0.76 CNR2 (0.41) CNR2KDM4EHPGD
SCHEMBL9587857 0.75 CNR2 (0.39) CNR2KDM4EHPGD
SCHEMBL3658175 0.75 CNR2 (0.40) CNR2KDM4EHPGD
SCHEMBL9588313 0.74 CNR2 (0.36) CNR2KDM4EHPGD

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