SCHEMBL8329432

SCHEMBL8329432

CCOC(=O)COc1ccc(Nc2c(C(=O)OCC)cnc3nc(C)c(OCC)cc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.55
NPC1 O15118 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.49
PDE4B Q07343 1/20 0.47
TP53 P04637 2/20 0.47
THRB P10828 1/20 0.46
GAA P10253 3/20 0.45
PAX8 Q06710 1/20 0.45
MEN1 O00255 1/20 0.44
SLC2A1 P11166 1/20 0.44
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL8328440 0.99 MAPT (0.54) MAPTNPC1SMN1; SMN2PDE4BTP53
SCHEMBL8559604 0.93 MAPT (0.62) MAPTNPC1SMN1; SMN2PDE4BTP53
SCHEMBL8326891 0.93 MAPT (0.55) MAPTNPC1SMN1; SMN2PDE4BTP53
Hydrochloric Acid SCHEMBL8561142 0.92 MAPT (0.61) MAPTNPC1SMN1; SMN2PDE4BTP53
SCHEMBL8323960 0.92 MAPT (0.54) MAPTNPC1SMN1; SMN2PDE4BTP53
Hydrochloric Acid SCHEMBL8325608 0.91 MAPT (0.53) MAPTNPC1SMN1; SMN2PDE4BTP53
SCHEMBL8563378 0.90 PDE4B (0.59) MAPTNPC1SMN1; SMN2PDE4BTP53
SCHEMBL8567052 0.89 MAPT (0.55) MAPTNPC1SMN1; SMN2PDE4BTP53
Hydrochloric Acid SCHEMBL811230 0.89 PDE4B (0.58) MAPTNPC1SMN1; SMN2PDE4BTP53
Hydrochloric Acid SCHEMBL8566227 0.88 MAPT (0.54) MAPTNPC1SMN1; SMN2PDE4BTP53

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