SCHEMBL10922089

SCHEMBL10922089

CCCOC(=O)Oc1c(C)nc(C)c(OC(=O)OC(C)C)c1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.43
▸ MAPT P10636 4/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ THPO P40225 1/20 0.42
▸ CACNA1F O60840 7/20 0.41
▸ CACNA1D Q01668 7/20 0.41
▸ CACNA1S Q13698 7/20 0.41
▸ CACNA1C Q13936 7/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ ACHE P22303 2/20 0.40

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
SCHEMBL10924663 0.93 MAPT (0.46) TDP1MAPTMEN1KMT2ACYP1A2
SCHEMBL10913546 0.92 MEN1 (0.42) TDP1MAPTMEN1KMT2ACYP1A2
SCHEMBL10915340 0.91 MEN1 (0.52) TDP1MAPTMEN1KMT2ACYP1A2
SCHEMBL10914143 0.91 KMT2A (0.43) TDP1MAPTMEN1KMT2ACYP1A2
SCHEMBL10915557 0.91 MEN1 (0.41) TDP1MAPTMEN1KMT2ACYP1A2
SCHEMBL10920420 0.91 ALDH1A1 (0.46) TDP1MAPTMEN1KMT2ACACNA1F
SCHEMBL10915424 0.91 MEN1 (0.41) TDP1MAPTMEN1KMT2ACYP1A2
SCHEMBL10913866 0.90 KMT2A (0.40) TDP1MAPTMEN1KMT2ACYP1A2
SCHEMBL10919211 0.90 ALDH1A1 (0.40) TDP1MAPTMEN1KMT2ACYP1A2
SCHEMBL10911158 0.90 MEN1 (0.40) TDP1MAPTMEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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