SCHEMBL9588629

SCHEMBL9588629

O=P(O)(O)CCCc1cc(Cl)cc2[nH]c(-c3nnn[nH]3)nc12

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 3/20 0.34
▸ GRIN2D O15399 2/20 0.34
▸ GRIN3B O60391 2/20 0.34
▸ GRIN2A Q12879 2/20 0.34
▸ GRIN2B Q13224 2/20 0.34
▸ GRIN2C Q14957 2/20 0.34
▸ GRIN3A Q8TCU5 2/20 0.34
▸ DHODH Q02127 1/20 0.32
▸ PNP P00491 1/20 0.30

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
SCHEMBL9591257 0.93 GRIN1 (0.36) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL9589206 0.87 GRIN2D (0.32) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL9590167 0.81 GPR17 (0.41) DHODH
SCHEMBL9588734 0.79 CBFB (0.32) DHODH
SCHEMBL9590755 0.75 PARP1 (0.35) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL9589244 0.72 DHODH (0.37) DHODH
SCHEMBL9588065 0.70 GRIN2B (0.43) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL9589939 0.69 GRIN2B (0.32) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL9590757 0.68 RHEB (0.38) DHODH
SCHEMBL8619216 0.66 GRIN1 (0.70) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B

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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