SCHEMBL9588616

SCHEMBL9588616

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

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.31
▸ GRIN3B O60391 1/20 0.31
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2A Q12879 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31
▸ GRIN2C Q14957 1/20 0.31
▸ GRIN3A Q8TCU5 1/20 0.31
▸ DHODH Q02127 1/20 0.31

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
SCHEMBL9589206 0.94 GRIN2D (0.32) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9588629 0.92 GRIN1 (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9591257 0.87 GRIN1 (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9588734 0.80 CBFB (0.32) DHODH
SCHEMBL9590167 0.79 GPR17 (0.41) DHODH
SCHEMBL9589444 0.71 PARP1 (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9589244 0.70 DHODH (0.37) DHODH
SCHEMBL9590080 0.70 — —
SCHEMBL9590755 0.69 PARP1 (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9590757 0.67 RHEB (0.38) DHODH

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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