SCHEMBL9588065

SCHEMBL9588065

O=P(O)(O)Cc1cccc2[nH]c(-c3nnn[nH]3)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 2/20 0.43
▸ GRIN2D O15399 1/20 0.43
▸ GRIN3B O60391 1/20 0.43
▸ GRIN1 Q05586 1/20 0.43
▸ GRIN2A Q12879 1/20 0.43
▸ GRIN2C Q14957 1/20 0.43
▸ GRIN3A Q8TCU5 1/20 0.43
▸ ACP3 P15309 1/20 0.38
▸ PARP1 P09874 9/20 0.36
▸ PGK1 P00558 1/20 0.36
▸ PGK2 P07205 1/20 0.36
▸ PKN1 Q16512 3/20 0.34
▸ PKN2 Q16513 3/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ DHODH Q02127 3/20 0.33
▸ PLK4 O00444 1/20 0.32
▸ MAPK13 O15264 1/20 0.32
▸ DYRK3 O43781 1/20 0.32
▸ ROCK2 O75116 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
SCHEMBL9589444 0.90 PARP1 (0.37) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9590755 0.88 PARP1 (0.35) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9589820 0.86 PNP (0.37) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9588138 0.83 PARP1 (0.36) GRIN2BPARP1PKN1PKN2CYP1A2
SCHEMBL9590336 0.82 PARP1 (0.35) GRIN2BPARP1PKN1PKN2CYP1A2
SCHEMBL9592001 0.81 GRIN2B (0.42) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9590174 0.81 PARP1 (0.35) PARP1PKN1PKN2DHODHPLK4
SCHEMBL9589858 0.79 CHRM1 (0.39) GRIN2BPARP1CYP1A2CYP2D6DHODH
SCHEMBL9589401 0.79 PARP1 (0.36) PARP1PKN1PKN2DHODHPLK4
SCHEMBL9587918 0.78 PGK1 (0.33) GRIN2BPGK1PGK2MGAMGAA

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
Send feedback