SCHEMBL8329418

SCHEMBL8329418

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

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.57
NPC1 O15118 1/20 0.52
DYRK1A Q13627 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
LMNA P02545 1/20 0.48
THRB P10828 1/20 0.48
PAX8 Q06710 1/20 0.47
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47

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 SCHEMBL8326208 0.99 MAPT (0.56) MAPTNPC1DYRK1ASMN1; SMN2LMNA
SCHEMBL8329171 0.90 MAPT (0.45) MAPTNPC1DYRK1ASMN1; SMN2PAX8
SCHEMBL8325775 0.90 MAPT (0.56) MAPTNPC1DYRK1ASMN1; SMN2LMNA
SCHEMBL8324456 0.90 MAPT (0.55) MAPTNPC1DYRK1ASMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL8330855 0.89 MAPT (0.56) MAPTNPC1DYRK1ASMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL8328215 0.89 MAPT (0.54) MAPTNPC1DYRK1ASMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL8330455 0.88 MAPT (0.55) MAPTNPC1DYRK1ASMN1; SMN2LMNA
SCHEMBL8325375 0.88 MAPT (0.53) MAPTNPC1DYRK1ASMN1; SMN2LMNA
SCHEMBL8326159 0.87 MAPT (0.52) MAPTNPC1DYRK1ASMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL8330067 0.86 MAPT (0.51) MAPTNPC1DYRK1ASMN1; SMN2LMNA

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
WO-1995000511-A1 CONDENSED 4-AMINOPYRIDINES WITH ANTIRHEUMATIC ACTIVITY KNOLL AG (DE) 1995-01-05 WO 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