SCHEMBL7570478

SCHEMBL7570478

CCCCCNc1c([N+](=O)[O-])cc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.92

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.92
▸ GAA P10253 1/20 0.92
▸ HCAR3 P49019 10/20 0.70
▸ ALDH1A1 P00352 3/20 0.62
▸ TDP1 Q9NUW8 2/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ LMNA P02545 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ ESR1 P03372 1/20 0.45

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
SCHEMBL10540328 0.90 MAPT (0.83) MAPTGAAHCAR3ALDH1A1TDP1
SCHEMBL11839922 0.82 MAPT (0.75) MAPTGAAHCAR3ALDH1A1TDP1
SCHEMBL6044024 0.82 HCAR3 (1.00) MAPTGAAHCAR3ALDH1A1
SCHEMBL22118775 0.82 MAPT (0.71) MAPTGAAHCAR3ALDH1A1TDP1
SCHEMBL11208444 0.81 HCAR3 (0.97) MAPTGAAHCAR3ALDH1A1
SCHEMBL6044600 0.81 HCAR3 (0.97) MAPTGAAHCAR3ALDH1A1
SCHEMBL11242963 0.81 HCAR3 (0.97) MAPTGAAHCAR3ALDH1A1
SCHEMBL11576924 0.81 MAPT (0.88) MAPTGAAHCAR3ALDH1A1TDP1
SCHEMBL13043456 0.79 MAPT (0.68) MAPTGAAHCAR3ALDH1A1TDP1
SCHEMBL6544560 0.78 MAPT (0.64) MAPTGAAHCAR3ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0685470-B1 Benzene derivatives and pharmaceutical composition KUREHA CHEMICAL IND CO LTD (JP) 2002-09-11 — — EP disclosed
US-5739131-A TREATMENT OF KIDNEY DISORDERS; COMPOUNDS DO NOT AFFECT BLOOD PRESSURE KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1998-04-14 — — US disclosed
US-5731310-A KIDNEY DISEASE KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1998-03-24 — — US disclosed
US-5696118-A ADMINISTERING FOR TREATING KIDNEY DISEASE KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1997-12-09 — — US disclosed
EP-0685470-A2 Benzene derivatives and pharmaceutical composition Kureha Chemical Industry Co., Ltd. (JP) 1995-12-06 — — EP disclosed
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