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Sugi Predict / Compounds / SCHEMBL8940260

SCHEMBL8940260

SCHEMBL8940260

CCOC(=O)C(C)=NNc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 9/20 0.57
▸ MAPT P10636 15/20 0.56
▸ KMT2A Q03164 11/20 0.56
▸ ALDH1A1 P00352 10/20 0.56
▸ MEN1 O00255 8/20 0.56
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ HTT P42858 4/20 0.52
▸ MAPK1 P28482 2/20 0.51
▸ GFER P55789 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ THRB P10828 2/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ HSP90AA1 P07900 1/20 0.50
▸ PKM P14618 1/20 0.49
▸ MMP14 P50281 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ LMNA P02545 2/20 0.48

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
SCHEMBL14700455 1.00 GAA (0.57) GAAMAPTKMT2AALDH1A1MEN1
SCHEMBL8940259 1.00 GAA (0.57) GAAMAPTKMT2AALDH1A1MEN1
SCHEMBL1491835 0.87 MAPT (0.54) GAAMAPTKMT2AALDH1A1MEN1
SCHEMBL1491837 0.87 MAPT (0.54) GAAMAPTKMT2AALDH1A1MEN1
SCHEMBL10479624 0.85 MAPT (0.52) GAAMAPTKMT2AALDH1A1MEN1
SCHEMBL10289977 0.85 GAA (0.68) GAAMAPTKMT2AALDH1A1MEN1
SCHEMBL395721 0.85 GAA (0.68) GAAMAPTKMT2AALDH1A1MEN1
SCHEMBL395720 0.85 GAA (0.68) GAAMAPTKMT2AALDH1A1MEN1
SCHEMBL9382696 0.85 MAPT (0.58) GAAMAPTKMT2AALDH1A1MEN1
SCHEMBL9382693 0.85 MAPT (0.58) GAAMAPTKMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107739368-B N-substituted-5- ((4-substituted pyrimidine-2-yl) amino) indole derivatives, and preparation method and application thereof 厦门大学 2020-02-14 — — CN claimed
CN-100491350-C Method for preparing nitro indole-2-carboxylic acid SHANGHAI INST OF CHEMICAL REAG (CN) 2009-05-27 — — CN claimed
CN-1626515-A Method for preparing nitro indole-2-carboxylic acid SHANGHAI INST OF CHEMICAL REAG (CN) 2005-06-15 — — CN claimed
JP-8176089-A — — None — — JP disclosed
CN-115611885-B N-substituted-5- ((4-substituted pyrimidin-2-yl) amino) -1H-indole-2-carboxamide derivatives 厦门大学 2024-07-19 — — CN disclosed
CN-115611885-A N-substituted-5- ((4-substituted pyrimidin-2-yl) amino) -1H-indole-2-carboxamide derivatives 厦门大学 2023-01-17 — — CN disclosed
CN-109734708-B Pyrimidine indole Nur77 receptor regulator and preparation method and application thereof 厦门大学 2021-04-09 — — CN disclosed
CN-107619384-B Benzo-heterocycle derivative, preparation method and application thereof in medicine 江苏恒瑞医药股份有限公司 2020-07-28 — — CN disclosed
CN-107739368-B N-substituted-5- ((4-substituted pyrimidine-2-yl) amino) indole derivatives, and preparation method and application thereof 厦门大学 2020-02-14 — — CN disclosed
CN-105348170-A 1-(2-(carbohydrazide substituent)-1H-indole-5-yl)-3-substituted urea derivative and preparation method thereof UNIV XIAMEN 2016-02-24 — — CN disclosed
CN-100491350-C Method for preparing nitro indole-2-carboxylic acid SHANGHAI INST OF CHEMICAL REAG (CN) 2009-05-27 — — CN disclosed
CN-1626515-A Method for preparing nitro indole-2-carboxylic acid SHANGHAI INST OF CHEMICAL REAG (CN) 2005-06-15 — — CN disclosed
JP-H08176089-A PRODUCTION OF 2-SUBSTITUTED PHENYLHYDRAZONOPROPIONIC ACID ESTER COMPOUNDS TOYAMA KOEI KK 1996-07-09 — — JP disclosed