SCHEMBL8563738

SCHEMBL8563738

CCOC(=O)c1cnc2ncc(OCC)cc2c1Nc1ccc(OC)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.63
MAPT P10636 9/20 0.61
SMN1; SMN2 Q16637 2/20 0.58
THRB P10828 1/20 0.58
MEN1 O00255 1/20 0.58
GAA P10253 1/20 0.58
SLC2A1 P11166 1/20 0.58
KMT2A Q03164 1/20 0.58
NPSR1 Q6W5P4 2/20 0.57
ALDH1A1 P00352 1/20 0.57
HTT P42858 1/20 0.57
CLK1 P49759 1/20 0.57
TP53 P04637 3/20 0.56
NPC1 O15118 1/20 0.53
PAX8 Q06710 1/20 0.52

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 SCHEMBL8567124 0.99 PDE4B (0.62) PDE4BMAPTSMN1; SMN2THRBMEN1
SCHEMBL9544473 0.87 PDE4B (0.50) PDE4BMAPTSMN1; SMN2THRBMEN1
SCHEMBL8563378 0.86 PDE4B (0.59) PDE4BMAPTSMN1; SMN2THRBMEN1
Hydrochloric Acid SCHEMBL811230 0.85 PDE4B (0.58) PDE4BMAPTSMN1; SMN2THRBMEN1
SCHEMBL8558688 0.85 PDE4B (0.60) PDE4BMAPTSMN1; SMN2THRBMEN1
SCHEMBL8558823 0.84 PDE4B (0.59) PDE4BMAPTSMN1; SMN2THRBMEN1
SCHEMBL8561277 0.83 PDE4B (0.61) PDE4BMAPTSMN1; SMN2THRBMEN1
Hydrochloric Acid SCHEMBL8565121 0.83 PDE4B (0.58) PDE4BMAPTSMN1; SMN2THRBMEN1
Hydrochloric Acid SCHEMBL8567867 0.83 PDE4B (0.58) PDE4BMAPTSMN1; SMN2THRBMEN1
Hydrochloric Acid SCHEMBL8563873 0.82 PDE4B (0.60) PDE4BMAPTSMN1; SMN2THRBMEN1

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
US-5464781-A TREATING RHEUMATIC DISEASES THE BOOTS COMPANY PLC (GB) 1995-11-07 US disclosed