SCHEMBL11650523

SCHEMBL11650523

O=C(Nc1cc(C(=O)Nc2ccccc2)c(O)c2ccccc12)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.56
▸ GAA P10253 2/20 0.56
▸ NCOA1 Q15788 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ NCOA3 Q9Y6Q9 1/20 0.56
▸ MEN1 O00255 5/20 0.55
▸ KMT2A Q03164 5/20 0.55
▸ P2RX1 P51575 1/20 0.52
▸ ABCG2 Q9UNQ0 2/20 0.52
▸ KCNMA1 Q12791 1/20 0.51
▸ RAB9A P51151 1/20 0.50
▸ MAPT P10636 1/20 0.49

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
SCHEMBL995085 0.83 GAA (0.77) HTTGAANCOA1SMN1; SMN2NCOA3
Methyl Alcohol SCHEMBL4957272 0.80 GAA (0.73) HTTGAANCOA1SMN1; SMN2NCOA3
SCHEMBL1692055 0.78 P2RX1 (0.66) HTTGAANCOA1SMN1; SMN2NCOA3
SCHEMBL27657640 0.76 GAA (0.71) HTTGAANCOA1SMN1; SMN2NCOA3
SCHEMBL4958300 0.76 GAA (0.71) HTTGAANCOA1SMN1; SMN2NCOA3
SCHEMBL4958310 0.76 GAA (0.71) HTTGAANCOA1SMN1; SMN2NCOA3
SCHEMBL27969765 0.76 KMT2A (0.71) HTTGAANCOA1SMN1; SMN2NCOA3
Ethane SCHEMBL27774960 0.76 KMT2A (0.66) HTTGAANCOA1SMN1; SMN2NCOA3
SCHEMBL394289 0.74 KCNMA1 (0.79) HTTGAANCOA1SMN1; SMN2NCOA3
SCHEMBL9191303 0.74 SMN1; SMN2 (0.56) HTTGAANCOA1SMN1; SMN2NCOA3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4083721-A AROMATIC PRIMARY AMINE DEVELOPER FUJI PHOTO FILM CO., LTD. (JA) 1978-04-11 — — US claimed
US-4083721-A AROMATIC PRIMARY AMINE DEVELOPER FUJI PHOTO FILM CO., LTD. (JA) 1978-04-11 — — US disclosed
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