SCHEMBL8564456

SCHEMBL8564456

CCOC(=O)c1cnc2nc(C)c(OCC)cc2c1Nc1ccc(O)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.48
TP53 P04637 5/20 0.48
THRB P10828 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 3/20 0.45
AURKB Q96GD4 3/20 0.45
LMNA P02545 2/20 0.45
AURKA O14965 2/20 0.45
MAPK1 P28482 1/20 0.45
PAX8 Q06710 1/20 0.44
GAA P10253 1/20 0.44
KDM4E B2RXH2 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.44

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 SCHEMBL8559342 0.99 MAPT (0.47) MAPTTP53THRBSMN1; SMN2ALDH1A1
SCHEMBL8670121 0.93 MAPT (0.49) MAPTTP53THRBSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL8330479 0.92 MAPT (0.48) MAPTTP53THRBSMN1; SMN2ALDH1A1
SCHEMBL8327172 0.91 ALDH1A1 (0.47) MAPTTP53THRBSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL8568041 0.89 ALDH1A1 (0.48) MAPTTP53THRBSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL8568043 0.89 ALDH1A1 (0.48) MAPTTP53THRBSMN1; SMN2ALDH1A1
SCHEMBL8559604 0.87 MAPT (0.62) MAPTTP53THRBSMN1; SMN2PAX8
Hydrochloric Acid SCHEMBL8561142 0.86 MAPT (0.61) MAPTTP53THRBSMN1; SMN2PAX8
SCHEMBL8568881 0.85 MAPT (0.47) MAPTTP53THRBALDH1A1LMNA
SCHEMBL8563378 0.85 PDE4B (0.59) 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 3 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 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