SCHEMBL8325375

SCHEMBL8325375

CCOC(=O)c1cnc2ccc(OCC)nc2c1Nc1ccc(OCC(O)CO)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.53
NPC1 O15118 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
DYRK1A Q13627 1/20 0.46
TP53 P04637 2/20 0.45
THRB P10828 1/20 0.45
GAA P10253 2/20 0.44
PAX8 Q06710 1/20 0.44
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.43
SLC2A1 P11166 1/20 0.43
KMT2A Q03164 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
SCHEMBL8329154 0.91 MAPT (0.42) MAPTNPC1SMN1; SMN2DYRK1APAX8
SCHEMBL8329418 0.88 MAPT (0.57) MAPTNPC1SMN1; SMN2DYRK1ATP53
Hydrochloric Acid SCHEMBL8326208 0.87 MAPT (0.56) MAPTNPC1SMN1; SMN2DYRK1ATP53
SCHEMBL8325775 0.86 MAPT (0.56) MAPTNPC1SMN1; SMN2DYRK1ATP53
Hydrochloric Acid SCHEMBL8330855 0.85 MAPT (0.56) MAPTNPC1SMN1; SMN2DYRK1ATP53
Hydrochloric Acid SCHEMBL8330455 0.84 MAPT (0.55) MAPTNPC1SMN1; SMN2DYRK1ATP53
SCHEMBL8324456 0.84 MAPT (0.55) MAPTNPC1SMN1; SMN2DYRK1ATP53
Hydrochloric Acid SCHEMBL8328215 0.83 MAPT (0.54) MAPTNPC1SMN1; SMN2DYRK1ATP53
SCHEMBL8326159 0.83 MAPT (0.52) MAPTNPC1SMN1; SMN2DYRK1ATP53
Hydrochloric Acid SCHEMBL8330067 0.82 MAPT (0.51) MAPTNPC1SMN1; SMN2DYRK1ATP53

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 5 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
EP-0705260-A1 CONDENSED 4-AMINOPYRIDINES WITH ANTIRHEUMATIC ACTIVITY KNOLL AKTIENGESELLSCHAFT (DE) 1996-04-10 EP disclosed
WO-1995000511-A1 CONDENSED 4-AMINOPYRIDINES WITH ANTIRHEUMATIC ACTIVITY KNOLL AG (DE) 1995-01-05 WO disclosed