SCHEMBL9587797

SCHEMBL9587797

NC(=O)c1nc2c(CP(=O)(O)O)cc(Cl)cc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 5/20 0.49
GRIN2D O15399 4/20 0.49
GRIN3B O60391 4/20 0.49
GRIN2A Q12879 4/20 0.49
GRIN2B Q13224 4/20 0.49
GRIN2C Q14957 4/20 0.49
GRIN3A Q8TCU5 4/20 0.49
HRH4 Q9H3N8 1/20 0.38
PARP1 P09874 3/20 0.34
RHEB Q15382 1/20 0.33
PARP2 Q9UGN5 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32

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
SCHEMBL9588644 0.88 GRIN1 (0.50) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL9587812 0.79 GRIN1 (0.49) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL9587955 0.78 GRIN2D (0.47) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL30310686 0.77 HRH4 (0.57) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL15939130 0.77 HRH4 (0.57) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL9589893 0.76 HRH4 (0.36) HRH4PARP1RHEBPARP2
SCHEMBL9588853 0.74 HRH4 (0.37) HRH4PARP1RHEBPARP2
SCHEMBL9588254 0.68 PARP1 (0.40) PARP1PARP2
SCHEMBL9587926 0.68 PGK1 (0.36) HRH4PARP1EGLN1
SCHEMBL9589180 0.68 GPR17 (0.47) HRH4RHEB

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