SCHEMBL9544533

SCHEMBL9544533

CCOC(=O)c1cnc2nc(C)c(OCC)cc2c1Nc1cc(OC)c(OC)c(OC)c1.CCOc1cc2c(Nc3ccc(OC)cc3)c(C)cnc2nc1C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.50
MAPT P10636 10/20 0.47
THRB P10828 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
SLC2A1 P11166 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 2/20 0.45
TP53 P04637 4/20 0.45
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
CLK1 P49759 1/20 0.44
CSF1R P07333 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL8567114 0.91 MAPT (0.51) PDE4BMAPTTHRBMEN1GAA
SCHEMBL8563378 0.91 PDE4B (0.59) PDE4BMAPTTHRBSMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL811230 0.90 PDE4B (0.58) PDE4BMAPTTHRBSMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL9259992 0.89 MAPT (0.49) MAPTTHRBMEN1GAAKMT2A
SCHEMBL8558688 0.88 PDE4B (0.60) PDE4BMAPTTHRBSMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL8565121 0.86 PDE4B (0.58) PDE4BMAPTTHRBSMN1; SMN2MEN1
SCHEMBL8568881 0.85 MAPT (0.47) PDE4BMAPTTHRBMEN1GAA
SCHEMBL8559604 0.85 MAPT (0.62) PDE4BMAPTTHRBSMN1; SMN2MEN1
SCHEMBL8569260 0.85 PDE4B (0.56) PDE4BMAPTTHRBSMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL8561142 0.84 MAPT (0.61) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993013097-A1 ANTI-RHEUMATIC NAPHTHYRIDINE DERIVATIVES THE BOOTS COMPANY PLC (GB) 1993-07-08 WO disclosed