SCHEMBL8329045

SCHEMBL8329045

CCOC(=O)c1cnc2nc(OCC)ccc2c1Nc1ccc(OCC)nc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.53
GAA P10253 2/20 0.49
POLB P06746 1/20 0.48
TP53 P04637 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
PDE4B Q07343 2/20 0.46
PAX8 Q06710 1/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45

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 SCHEMBL8331150 0.99 MAPT (0.52) MAPTGAAPOLBTP53SMN1; SMN2
SCHEMBL8326516 0.89 MEN1 (0.46) MAPTGAAPOLBSMN1; SMN2PAX8
SCHEMBL8561277 0.89 PDE4B (0.61) MAPTGAATP53SMN1; SMN2PDE4B
Hydrochloric Acid SCHEMBL8563873 0.88 PDE4B (0.60) MAPTGAATP53SMN1; SMN2PDE4B
SCHEMBL8327883 0.87 MAPT (0.48) MAPTGAATP53SMN1; SMN2PDE4B
Hydrochloric Acid SCHEMBL8327246 0.86 MAPT (0.47) MAPTGAATP53SMN1; SMN2PDE4B
SCHEMBL8326159 0.83 MAPT (0.52) MAPTGAATP53SMN1; SMN2PAX8
Hydrochloric Acid SCHEMBL8330067 0.82 MAPT (0.51) MAPTGAATP53SMN1; SMN2PAX8
SCHEMBL8327448 0.79 NPC1 (0.44) MAPTGAATP53SMN1; SMN2NPC1
SCHEMBL8322999 0.78 KMT2A (0.58) MAPTPOLBTP53SMN1; SMN2NPC1

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