SCHEMBL9592001

SCHEMBL9592001

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 2/20 0.42
▸ GRIN2D O15399 1/20 0.42
▸ GRIN3B O60391 1/20 0.42
▸ GRIN1 Q05586 1/20 0.42
▸ GRIN2A Q12879 1/20 0.42
▸ GRIN2C Q14957 1/20 0.42
▸ GRIN3A Q8TCU5 1/20 0.42
▸ PARP1 P09874 5/20 0.39
▸ DHODH Q02127 7/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.37
▸ PTGDR2 Q9Y5Y4 4/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ THRB P10828 1/20 0.35

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
SCHEMBL9589858 0.88 CHRM1 (0.39) GRIN2BPARP1DHODHCYP1A2CYP2D6
SCHEMBL9588065 0.81 GRIN2B (0.43) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9592029 0.80 GRIN2D (0.42) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9590755 0.79 PARP1 (0.35) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9589444 0.79 PARP1 (0.37) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9588411 0.79 CYP1A2 (0.36) GRIN2BPARP1CYP1A2CYP2D6KDM4E
SCHEMBL9589684 0.78 PTGDR2 (0.39) GRIN2BCYP1A2PTGDR2KDM4EMEN1
SCHEMBL9589820 0.77 PNP (0.37) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9588138 0.77 PARP1 (0.36) GRIN2BPARP1DHODHCYP1A2CYP2D6
SCHEMBL9588892 0.76 CYP1A2 (0.34) GRIN2BPARP1CYP1A2CYP2D6POLB

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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