SCHEMBL8567052

SCHEMBL8567052

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

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.55
NPC1 O15118 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.49
PDE4B Q07343 1/20 0.47
TP53 P04637 1/20 0.47
LMNA P02545 1/20 0.46
THRB P10828 1/20 0.46
PAX8 Q06710 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 SCHEMBL8566227 0.99 MAPT (0.54) MAPTNPC1SMN1; SMN2PDE4BTP53
SCHEMBL8559604 0.93 MAPT (0.62) MAPTNPC1SMN1; SMN2PDE4BTP53
Hydrochloric Acid SCHEMBL8561142 0.92 MAPT (0.61) MAPTNPC1SMN1; SMN2PDE4BTP53
SCHEMBL8560369 0.92 MAPT (0.44) MAPTNPC1SMN1; SMN2PAX8
SCHEMBL8563378 0.90 PDE4B (0.59) MAPTNPC1SMN1; SMN2PDE4BTP53
SCHEMBL8567858 0.89 MAPT (0.51) MAPTNPC1SMN1; SMN2PDE4BTP53
SCHEMBL8329432 0.89 MAPT (0.55) MAPTNPC1SMN1; SMN2PDE4BTP53
SCHEMBL8326891 0.89 MAPT (0.55) MAPTNPC1SMN1; SMN2PDE4BTP53
Hydrochloric Acid SCHEMBL811230 0.89 PDE4B (0.58) MAPTNPC1SMN1; SMN2PDE4BTP53
Hydrochloric Acid SCHEMBL8562082 0.89 MAPT (0.51) MAPTNPC1SMN1; SMN2PDE4BTP53

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-0618916-B1 ANTI-RHEUMATIC NAPHTHYRIDINE DERIVATIVES KNOLL AG (DE) 1998-09-23 EP claimed
WO-1993013097-A1 ANTI-RHEUMATIC NAPHTHYRIDINE DERIVATIVES THE BOOTS COMPANY PLC (GB) 1993-07-08 WO claimed
EP-0618916-B1 ANTI-RHEUMATIC NAPHTHYRIDINE DERIVATIVES KNOLL AG (DE) 1998-09-23 EP disclosed
US-5464781-A TREATING RHEUMATIC DISEASES THE BOOTS COMPANY PLC (GB) 1995-11-07 US disclosed
WO-1993013097-A1 ANTI-RHEUMATIC NAPHTHYRIDINE DERIVATIVES THE BOOTS COMPANY PLC (GB) 1993-07-08 WO disclosed