SCHEMBL8558823

SCHEMBL8558823

CCOC(=O)c1cnc2nc(C)c(Br)cc2c1Nc1ccc(OC)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.59
MAPT P10636 9/20 0.52
TP53 P04637 4/20 0.52
NPSR1 Q6W5P4 2/20 0.52
THRB P10828 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 1/20 0.52
GAA P10253 1/20 0.52
SLC2A1 P11166 1/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 1/20 0.51
HTT P42858 1/20 0.51
CLK1 P49759 1/20 0.51
PAX8 Q06710 1/20 0.49
NPC1 O15118 1/20 0.49

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 SCHEMBL8567867 0.99 PDE4B (0.58) PDE4BMAPTTP53NPSR1THRB
SCHEMBL8558688 0.89 PDE4B (0.60) PDE4BMAPTTP53NPSR1THRB
SCHEMBL8563378 0.88 PDE4B (0.59) PDE4BMAPTTP53NPSR1THRB
Hydrochloric Acid SCHEMBL811230 0.87 PDE4B (0.58) PDE4BMAPTTP53NPSR1THRB
Hydrochloric Acid SCHEMBL8565121 0.87 PDE4B (0.58) PDE4BMAPTTP53NPSR1THRB
SCHEMBL8569260 0.86 PDE4B (0.56) PDE4BMAPTTP53NPSR1THRB
Hydrochloric Acid SCHEMBL8560512 0.85 PDE4B (0.55) PDE4BMAPTTP53NPSR1THRB
SCHEMBL8563738 0.84 PDE4B (0.63) PDE4BMAPTTP53NPSR1THRB
Hydrochloric Acid SCHEMBL8567124 0.83 PDE4B (0.62) PDE4BMAPTTP53NPSR1THRB
SCHEMBL9542093 0.82 PDE4B (0.47) PDE4BMAPTTP53NPSR1THRB

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