SCHEMBL10913091

SCHEMBL10913091

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.43
▸ ALDH1A1 P00352 6/20 0.43
▸ RAB9A P51151 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HRH2 P25021 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ MAPK1 P28482 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ NFKB1 P19838 1/20 0.38

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
SCHEMBL10913839 0.93 HRH2 (0.40) MAPTALDH1A1RAB9AGAASMN1; SMN2
SCHEMBL6959645 0.88 ALDH1A1 (0.44) MAPTALDH1A1RAB9AGAASMN1; SMN2
SCHEMBL10911579 0.86 ALDH1A1 (0.39) MAPTALDH1A1RAB9AGAASMN1; SMN2
SCHEMBL6956139 0.85 ALDH1A1 (0.44) MAPTALDH1A1GAASMN1; SMN2L3MBTL1
SCHEMBL10913633 0.83 LMNA (0.40) MAPTALDH1A1RAB9ASMN1; SMN2HRH2
SCHEMBL10911009 0.83 TDP1 (0.39) MAPTALDH1A1RAB9AGAASMN1; SMN2
SCHEMBL10745473 0.80 ALDH1A1 (0.59) MAPTALDH1A1RAB9AGAASMN1; SMN2
SCHEMBL10913623 0.80 KMT2A (0.35) MAPTALDH1A1RAB9AGAASMN1; SMN2
SCHEMBL10919048 0.77 LDHA (0.43) MAPTALDH1A1RAB9AGAASMN1; SMN2
SCHEMBL10914742 0.76 HRH2 (0.34) MAPTALDH1A1GAAHRH2HRH1

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-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
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
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