SCHEMBL8325775

SCHEMBL8325775

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.56
PDE4B Q07343 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.54
THRB P10828 1/20 0.54
MEN1 O00255 1/20 0.54
GAA P10253 1/20 0.54
SLC2A1 P11166 1/20 0.54
KMT2A Q03164 1/20 0.54
ALDH1A1 P00352 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
HTT P42858 1/20 0.53
CLK1 P49759 1/20 0.53
TP53 P04637 3/20 0.52
NPC1 O15118 1/20 0.51
PAX8 Q06710 1/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
DYRK1A Q13627 1/20 0.51

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 SCHEMBL8330855 0.99 MAPT (0.56) MAPTPDE4BSMN1; SMN2THRBMEN1
Hydrochloric Acid SCHEMBL8330455 0.98 MAPT (0.55) MAPTPDE4BSMN1; SMN2THRBMEN1
SCHEMBL8328847 0.95 PDE4B (0.56) MAPTPDE4BSMN1; SMN2THRBMEN1
SCHEMBL8329418 0.90 MAPT (0.57) MAPTSMN1; SMN2THRBGAATP53
SCHEMBL8329323 0.90 GAA (0.47) MAPTPDE4BSMN1; SMN2THRBMEN1
Hydrochloric Acid SCHEMBL8326208 0.89 MAPT (0.56) MAPTSMN1; SMN2THRBGAATP53
Hydrochloric Acid SCHEMBL8326619 0.89 MAPT (0.54) MAPTPDE4BSMN1; SMN2THRBMEN1
SCHEMBL8326159 0.89 MAPT (0.52) MAPTSMN1; SMN2MEN1GAAKMT2A
SCHEMBL8327227 0.88 PDE4B (0.56) MAPTPDE4BSMN1; SMN2THRBMEN1
Hydrochloric Acid SCHEMBL8330067 0.88 MAPT (0.51) MAPTSMN1; SMN2MEN1GAAKMT2A

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