SCHEMBL8327170

SCHEMBL8327170

CCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(Oc2ccccn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.55
GAA P10253 2/20 0.49
TP53 P04637 2/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 1/20 0.47
PDE4B Q07343 2/20 0.47
THRB P10828 1/20 0.46
MAPK1 P28482 1/20 0.46
PTGS2 P35354 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 SCHEMBL8323053 0.99 MAPT (0.54) MAPTGAATP53SMN1; SMN2LMNA
SCHEMBL8330063 0.89 DHODH (0.43) MAPTGAASMN1; SMN2
SCHEMBL8328461 0.86 MAPT (0.52) MAPTGAATP53SMN1; SMN2PDE4B
SCHEMBL8321309 0.85 PDE4B (0.61) MAPTGAATP53SMN1; SMN2PDE4B
Hydrochloric Acid SCHEMBL8328640 0.85 MAPT (0.51) MAPTGAATP53SMN1; SMN2PDE4B
SCHEMBL8324672 0.79 MAPT (0.52) MAPTGAATP53SMN1; SMN2LMNA
SCHEMBL8327174 0.79 P2RX3 (0.43) PTGS2
SCHEMBL8329674 0.78 MAPT (0.43) MAPTSMN1; SMN2PTGS2
SCHEMBL8561277 0.77 PDE4B (0.61) MAPTGAATP53SMN1; SMN2PDE4B
Hydrochloric Acid SCHEMBL8563873 0.76 PDE4B (0.60) MAPTGAATP53SMN1; SMN2PDE4B

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