SCHEMBL8561277

SCHEMBL8561277

CCOC(=O)c1cnc2nc(OCC)ccc2c1Nc1ccc(OC)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.61
MAPT P10636 10/20 0.58
TP53 P04637 4/20 0.52
NPSR1 Q6W5P4 2/20 0.52
GAA P10253 2/20 0.51
THRB P10828 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 1/20 0.51
SLC2A1 P11166 1/20 0.51
KMT2A Q03164 1/20 0.51
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HTT P42858 1/20 0.51
CLK1 P49759 1/20 0.51
PAX8 Q06710 1/20 0.48

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 SCHEMBL8563873 0.99 PDE4B (0.60) PDE4BMAPTTP53NPSR1GAA
SCHEMBL8561203 0.90 GAA (0.49) PDE4BMAPTNPSR1GAASMN1; SMN2
SCHEMBL8329045 0.89 MAPT (0.53) PDE4BMAPTTP53NPSR1GAA
Hydrochloric Acid SCHEMBL8331150 0.88 MAPT (0.52) PDE4BMAPTTP53NPSR1GAA
SCHEMBL8325585 0.86 MAPT (0.56) PDE4BMAPTTP53NPSR1GAA
SCHEMBL8565871 0.85 PDE4B (0.58) PDE4BMAPTTP53NPSR1GAA
Hydrochloric Acid SCHEMBL8564590 0.84 PDE4B (0.57) PDE4BMAPTTP53NPSR1GAA
SCHEMBL8563378 0.84 PDE4B (0.59) PDE4BMAPTTP53NPSR1GAA
SCHEMBL8566689 0.84 PDE4B (0.43) PDE4BMAPTTP53NPSR1GAA
Hydrochloric Acid SCHEMBL8327776 0.84 MAPT (0.54) PDE4BMAPTTP53NPSR1GAA

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 7 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 claimed
EP-0618916-A1 ANTI-RHEUMATIC NAPHTHYRIDINE DERIVATIVES Knoll AG (DE) 1994-10-12 EP claimed
WO-1993013097-A1 ANTI-RHEUMATIC NAPHTHYRIDINE DERIVATIVES THE BOOTS COMPANY PLC (GB) 1993-07-08 WO claimed
EP-0618916-B1 ANTI-RHEUMATIC NAPHTHYRIDINE DERIVATIVES KNOLL AG (DE) 1998-09-23 EP disclosed
US-5464781-A TREATING RHEUMATIC DISEASES THE BOOTS COMPANY PLC (GB) 1995-11-07 US 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