SCHEMBL10913623

SCHEMBL10913623

Cc1nc(C)c(OC(=O)OC2CCCC2)c(-c2ccccc2[N+](=O)[O-])c1OC(=O)OCCO

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ HRH2 P25021 1/20 0.34
▸ HRH1 P35367 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ POLB P06746 2/20 0.32
▸ PDE5A O76074 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ PDCD1 Q15116 1/20 0.32
▸ CD274 Q9NZQ7 1/20 0.32
▸ MGAM O43451 1/20 0.31
▸ GAA P10253 1/20 0.31

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 0.86 HRH2 (0.40) KMT2AMEN1NPC1RAB9AHRH2
SCHEMBL10911579 0.86 ALDH1A1 (0.39) KMT2AMEN1NPC1RAB9AHRH2
SCHEMBL10911009 0.83 TDP1 (0.39) NPC1RAB9AHRH2HRH1ALDH1A1
SCHEMBL10913633 0.83 LMNA (0.40) NPC1RAB9AHRH2HRH1ALDH1A1
SCHEMBL10914333 0.82 ACHE (0.39) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL10744810 0.81 LDHA (0.39) KMT2AMEN1NPC1RAB9AHRH2
SCHEMBL10913091 0.80 MAPT (0.43) KMT2AMEN1NPC1RAB9AHRH2
SCHEMBL10914742 0.78 HRH2 (0.34) KMT2AMEN1HRH2HRH1ALDH1A1
SCHEMBL6959645 0.76 ALDH1A1 (0.44) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL10914201 0.74 ACHE (0.39) KMT2AMEN1NPC1RAB9AALDH1A1

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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