SCHEMBL8565074

SCHEMBL8565074

CCOC(=O)c1cnc2nc(CCC(=O)O)c(OCC)cc2c1Nc1ccc(OC)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.54
MAPT P10636 8/20 0.50
THRB P10828 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
SLC2A1 P11166 1/20 0.48
KMT2A Q03164 1/20 0.48
TP53 P04637 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
CLK1 P49759 1/20 0.47
PAX8 Q06710 1/20 0.47
SIRT5 Q9NXA8 1/20 0.46

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
Hydrochloric Acid SCHEMBL8561319 0.99 PDE4B (0.53) PDE4BMAPTTHRBSMN1; SMN2MEN1
SCHEMBL9258775 0.94 PDE4B (0.49) PDE4BMAPTTHRBSMN1; SMN2MEN1
SCHEMBL9258784 0.88 PDE4B (0.49) PDE4BMAPTTHRBSMN1; SMN2MEN1
SCHEMBL8563378 0.87 PDE4B (0.59) PDE4BMAPTTHRBSMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL811230 0.86 PDE4B (0.58) PDE4BMAPTTHRBSMN1; SMN2MEN1
SCHEMBL8558688 0.84 PDE4B (0.60) PDE4BMAPTTHRBSMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL8669656 0.83 PDE4B (0.53) PDE4BMAPTTHRBSMN1; SMN2MEN1
SCHEMBL8565165 0.83 PDE4B (0.52) PDE4BMAPTTHRBSMN1; SMN2MEN1
SCHEMBL8565169 0.83 PDE4B (0.52) PDE4BMAPTTHRBSMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL8565121 0.83 PDE4B (0.58) PDE4BMAPTTHRBSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0618916-B1 ANTI-RHEUMATIC NAPHTHYRIDINE DERIVATIVES KNOLL AG (DE) 1998-09-23 EP disclosed
EP-0618916-A1 ANTI-RHEUMATIC NAPHTHYRIDINE DERIVATIVES Knoll AG (DE) 1994-10-12 EP disclosed
WO-1993013097-A1 ANTI-RHEUMATIC NAPHTHYRIDINE DERIVATIVES THE BOOTS COMPANY PLC (GB) 1993-07-08 WO disclosed