SCHEMBL11221712

SCHEMBL11221712

O=Nc1ccc(Cl)c(Cl)c1N=O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 4/20 0.40
▸ GRIN3B O60391 4/20 0.40
▸ GRIN1 Q05586 4/20 0.40
▸ GRIN2A Q12879 4/20 0.40
▸ GRIN2B Q13224 4/20 0.40
▸ GRIN2C Q14957 4/20 0.40
▸ GRIN3A Q8TCU5 4/20 0.40
▸ CYP3A4 P08684 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.31
▸ TDP1 Q9NUW8 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
SCHEMBL11274120 0.76 HSP90AA1 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13366893 0.73 MAPT (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11232182 0.71 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12264944 0.71 ALDH1A1 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12821122 0.70 PNMT (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12463823 0.68 S100B (0.47) CYP3A4TDP1
SCHEMBL9629412 0.67 TDP1 (0.44) CYP3A4MAPK1TDP1
SCHEMBL10271574 0.66 ALDH1A1 (0.34) CYP3A4MAPK1
SCHEMBL14223556 0.66 — —
SCHEMBL12123913 0.66 HSP90AA1 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-4338410-A IN THE PRESENCE OF IXIME OR NITROSO COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-07-06 — — US disclosed
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