SCHEMBL9589046

SCHEMBL9589046

O=P(O)(O)Cc1cccc2[nH]c(CO)nc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 2/20 0.49
▸ GRIN2B Q13224 2/20 0.49
▸ GRIN2D O15399 1/20 0.49
▸ GRIN3B O60391 1/20 0.49
▸ GRIN2A Q12879 1/20 0.49
▸ GRIN2C Q14957 1/20 0.49
▸ GRIN3A Q8TCU5 1/20 0.49
▸ ACP3 P15309 1/20 0.44
▸ PGK1 P00558 1/20 0.41
▸ PGK2 P07205 1/20 0.41
▸ PARP1 P09874 2/20 0.38
▸ CHEK1 O14757 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ RHEB Q15382 1/20 0.34
▸ CNR2 P34972 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL6681270 0.81 CHEK1 (0.45) PARP1CHEK1TDP1NPSR1RHEB
SCHEMBL9588283 0.78 GRIN2D (0.48) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL9587955 0.77 GRIN2D (0.47) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL9589055 0.77 GRIN2D (0.49) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL9588065 0.76 GRIN2B (0.43) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL9533100 0.73 GRIN1 (0.55) GRIN1GRIN2BCHEK1TDP1NPSR1
SCHEMBL11498419 0.72 LIPG (0.40) CHEK1
SCHEMBL5744116 0.71 EGLN1 (0.42) GRIN1GRIN2BPARP1CHEK1TDP1
SCHEMBL14300571 0.71 TDP1 (0.40) GRIN1GRIN2BPARP1CHEK1TDP1
SCHEMBL3938941 0.71 CHEK1 (0.57) GRIN1GRIN2BPARP1CHEK1TDP1

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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