SCHEMBL8328461

SCHEMBL8328461

CCOC(=O)c1cnc2nc(C)c(OCC)cc2c1Nc1ccc(Oc2ccccn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.52
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 1/20 0.46
TP53 P04637 2/20 0.45
THRB P10828 3/20 0.45
GAA P10253 1/20 0.45
PTGS2 P35354 1/20 0.44
PDE4B Q07343 2/20 0.44
ALDH1A1 P00352 1/20 0.43
HTT P42858 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
Hydrochloric Acid SCHEMBL8328640 0.99 MAPT (0.51) MAPTSMN1; SMN2NPC1TP53THRB
SCHEMBL8329674 0.92 MAPT (0.43) MAPTSMN1; SMN2NPC1PTGS2
SCHEMBL8561030 0.90 MAPT (0.56) MAPTSMN1; SMN2NPC1TP53THRB
Hydrochloric Acid SCHEMBL8625846 0.90 MAPT (0.55) MAPTSMN1; SMN2NPC1TP53THRB
SCHEMBL8323681 0.89 MAPT (0.49) MAPTSMN1; SMN2TP53THRBGAA
Hydrochloric Acid SCHEMBL8330804 0.88 MAPT (0.49) MAPTSMN1; SMN2TP53THRBGAA
SCHEMBL8559604 0.87 MAPT (0.62) MAPTSMN1; SMN2NPC1TP53THRB
Hydrochloric Acid SCHEMBL8561142 0.86 MAPT (0.61) MAPTSMN1; SMN2NPC1TP53THRB
SCHEMBL8327170 0.86 MAPT (0.55) MAPTSMN1; SMN2TP53THRBGAA
SCHEMBL9541717 0.86 MAPT (0.50) MAPTSMN1; SMN2NPC1TP53THRB

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