SCHEMBL8325615

SCHEMBL8325615

CCOC(=O)c1cnc2nc(C)c(OCC)cc2c1Nc1cnc(O)nc1O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.47
MAPT P10636 9/20 0.43
TP53 P04637 5/20 0.43
GAA P10253 1/20 0.41
PAX8 Q06710 1/20 0.39
DPP4 P27487 2/20 0.39

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 SCHEMBL8323048 0.98 THRB (0.46) THRBMAPTTP53GAAPAX8
SCHEMBL8329028 0.91 THRB (0.38) THRBMAPTTP53GAAPAX8
Hydrochloric Acid SCHEMBL8670100 0.89 THRB (0.36) THRBMAPTTP53GAAPAX8
SCHEMBL8670121 0.80 MAPT (0.49) THRBMAPTTP53GAAPAX8
SCHEMBL8562110 0.80 MAPT (0.56) THRBMAPTTP53GAA
SCHEMBL8559604 0.80 MAPT (0.62) THRBMAPTTP53GAAPAX8
Hydrochloric Acid SCHEMBL8330479 0.80 MAPT (0.48) THRBMAPTTP53GAAPAX8
SCHEMBL8564456 0.80 MAPT (0.48) THRBMAPTTP53GAAPAX8
SCHEMBL8322260 0.80 DPP4 (0.48) THRBMAPTDPP4
Hydrochloric Acid SCHEMBL8566639 0.79 MAPT (0.55) THRBMAPTTP53GAA

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