SCHEMBL10913839

SCHEMBL10913839

CCOC(=O)Oc1c(C)nc(C)c(OC(=O)OCCO)c1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ ALDH1A1 P00352 8/20 0.39
▸ MAPT P10636 6/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ RAB9A P51151 3/20 0.36
▸ GAA P10253 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPK1 P28482 4/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ TDP1 Q9NUW8 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ LMNA P02545 3/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL10913091 0.93 MAPT (0.43) HRH2HRH1ALDH1A1MAPTL3MBTL1
SCHEMBL10911579 0.93 ALDH1A1 (0.39) HRH2HRH1ALDH1A1MAPTL3MBTL1
SCHEMBL10913633 0.90 LMNA (0.40) HRH2HRH1ALDH1A1MAPTL3MBTL1
SCHEMBL10911009 0.90 TDP1 (0.39) HRH2HRH1ALDH1A1MAPTL3MBTL1
SCHEMBL10913623 0.86 KMT2A (0.35) HRH2HRH1ALDH1A1MAPTL3MBTL1
SCHEMBL10914742 0.83 HRH2 (0.34) HRH2HRH1ALDH1A1MAPTL3MBTL1
SCHEMBL6959645 0.82 ALDH1A1 (0.44) ALDH1A1MAPTKDM4ERAB9AGAA
SCHEMBL10913977 0.81 KDM4E (0.42) ALDH1A1MAPTL3MBTL1KDM4ERAB9A
SCHEMBL10746422 0.81 ALDH1A1 (0.52) HRH2HRH1ALDH1A1MAPTL3MBTL1
SCHEMBL10926337 0.81 LDHA (0.40) ALDH1A1MAPTL3MBTL1KDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0088940-B1 PYRIDINE-CARBOXYLIC-ACID ESTERS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BAYER AG (DE) 1986-05-21 — — EP disclosed
EP-0088938-B1 USE OF PYRIDINE COMPOUNDS FOR THE MANUFACTURE OF MEDICAMENTS WITH AN ANTIHYPOXEMIA AND ISCHEMIA-PROTECTIVE ACTIVITY BAYER AG (DE) 1986-04-30 — — EP disclosed
EP-0088940-A1 Pyridine-carboxylic-acid esters, process for their preparation and their use as pharmaceutical compositions BAYER AG (DE) 1983-09-21 — — EP disclosed
EP-0088938-A1 Use of pyridine compounds for the manufacture of medicaments with an antihypoxemia and ischemia-protective activity BAYER AG (DE) 1983-09-21 — — EP disclosed
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