SCHEMBL8323681

SCHEMBL8323681

CCOC(=O)c1cnc2nc(C)c(OCC)cc2c1Nc1ccc(Oc2ccccc2)nc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.49
TP53 P04637 2/20 0.49
THRB P10828 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
PDE4B Q07343 1/20 0.44
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PAX8 Q06710 1/20 0.43
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42

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 SCHEMBL8330804 0.99 MAPT (0.49) MAPTTP53THRBSMN1; SMN2ALDH1A1
SCHEMBL8323951 0.93 MAPT (0.41) MAPTTP53THRBSMN1; SMN2ALDH1A1
SCHEMBL8561030 0.91 MAPT (0.56) MAPTTP53THRBSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL8625846 0.90 MAPT (0.55) MAPTTP53THRBSMN1; SMN2ALDH1A1
SCHEMBL8327883 0.90 MAPT (0.48) MAPTTP53THRBSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL8327246 0.89 MAPT (0.47) MAPTTP53THRBSMN1; SMN2ALDH1A1
SCHEMBL8328461 0.89 MAPT (0.52) MAPTTP53THRBSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL8328640 0.88 MAPT (0.51) MAPTTP53THRBSMN1; SMN2ALDH1A1
SCHEMBL9052065 0.87 MAPT (0.42) MAPTTP53THRBSMN1; SMN2ALDH1A1
SCHEMBL9541717 0.85 MAPT (0.50) MAPTTP53THRBSMN1; SMN2ALDH1A1

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