SCHEMBL8324672

SCHEMBL8324672

CCOC(=O)c1cnc2ccc(OCC)nc2c1Nc1ccc(Oc2ccccn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.52
SMN1; SMN2 Q16637 3/20 0.49
THRB P10828 1/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
DYRK1A Q13627 1/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 2/20 0.45
HTT P42858 1/20 0.45
GAA P10253 2/20 0.45
PAX8 Q06710 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
SCHEMBL8327738 0.91 MAPT (0.41) MAPTSMN1; SMN2L3MBTL1
SCHEMBL8325775 0.86 MAPT (0.56) MAPTSMN1; SMN2THRBALDH1A1LMNA
Hydrochloric Acid SCHEMBL8330855 0.85 MAPT (0.56) MAPTSMN1; SMN2THRBALDH1A1LMNA
Hydrochloric Acid SCHEMBL8326619 0.85 MAPT (0.54) MAPTSMN1; SMN2THRBALDH1A1LMNA
Hydrochloric Acid SCHEMBL8330455 0.84 MAPT (0.55) MAPTSMN1; SMN2THRBALDH1A1LMNA
SCHEMBL8329418 0.84 MAPT (0.57) MAPTSMN1; SMN2THRBLMNADYRK1A
Hydrochloric Acid SCHEMBL8326208 0.83 MAPT (0.56) MAPTSMN1; SMN2THRBLMNADYRK1A
SCHEMBL8326159 0.83 MAPT (0.52) MAPTSMN1; SMN2ALDH1A1LMNAL3MBTL1
Hydrochloric Acid SCHEMBL8330067 0.82 MAPT (0.51) MAPTSMN1; SMN2ALDH1A1LMNAL3MBTL1
SCHEMBL8324456 0.82 MAPT (0.55) MAPTSMN1; SMN2THRBLMNADYRK1A

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