SCHEMBL8327883

SCHEMBL8327883

CCOC(=O)c1cnc2nc(C)c(OCC)cc2c1Nc1ccc(OCC)nc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.48
THRB P10828 1/20 0.47
TP53 P04637 3/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
GAA P10253 2/20 0.45
PAX8 Q06710 1/20 0.45
LMNA P02545 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPK1 P28482 1/20 0.44
PDE4B Q07343 1/20 0.43
KDM4E B2RXH2 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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 SCHEMBL8327246 0.99 MAPT (0.47) MAPTTHRBTP53SMN1; SMN2GAA
SCHEMBL8328843 0.91 MEN1 (0.42) MAPTTHRBSMN1; SMN2PAX8ALDH1A1
SCHEMBL8323681 0.90 MAPT (0.49) MAPTTHRBTP53SMN1; SMN2GAA
Hydrochloric Acid SCHEMBL8330804 0.89 MAPT (0.49) MAPTTHRBTP53SMN1; SMN2GAA
SCHEMBL8559604 0.88 MAPT (0.62) MAPTTHRBTP53SMN1; SMN2GAA
Hydrochloric Acid SCHEMBL8561142 0.87 MAPT (0.61) MAPTTHRBTP53SMN1; SMN2GAA
SCHEMBL8329045 0.87 MAPT (0.53) MAPTTP53SMN1; SMN2GAAPAX8
SCHEMBL8563378 0.86 PDE4B (0.59) MAPTTHRBTP53SMN1; SMN2GAA
SCHEMBL8670121 0.86 MAPT (0.49) MAPTTHRBTP53SMN1; SMN2GAA
Hydrochloric Acid SCHEMBL8331150 0.86 MAPT (0.52) MAPTTP53SMN1; SMN2GAAPAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0705260-B1 CONDENSED 4-AMINOPYRIDINES WITH ANTIRHEUMATIC ACTIVITY KNOLL AG (DE) 1999-03-03 EP claimed
EP-0705260-B1 CONDENSED 4-AMINOPYRIDINES WITH ANTIRHEUMATIC ACTIVITY KNOLL AG (DE) 1999-03-03 EP disclosed
US-5780482-A TREATING RHEUMATIC DISEASES KNOLL AKTIENGESELLSCHAFT (DE) 1998-07-14 US disclosed
WO-1995000511-A1 CONDENSED 4-AMINOPYRIDINES WITH ANTIRHEUMATIC ACTIVITY KNOLL AG (DE) 1995-01-05 WO disclosed