SCHEMBL8566689

SCHEMBL8566689

CCOC(=O)Oc1cnc2nc(OCC)ccc2c1Nc1ccc(OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.43
STK4 Q13043 1/20 0.41
MAPT P10636 8/20 0.41
NPSR1 Q6W5P4 1/20 0.40
TP53 P04637 1/20 0.40
PDE4D Q08499 1/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CSF1R P07333 1/20 0.38
NPC1 O15118 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
DHODH Q02127 1/20 0.37
DHFR P00374 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
THRB P10828 1/20 0.37
GAA P10253 1/20 0.37
SLC2A1 P11166 1/20 0.37
PIK3CA P42336 1/20 0.37

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
SCHEMBL8562498 0.85 STK4 (0.45) PDE4BSTK4MAPTNPSR1TP53
SCHEMBL8561277 0.84 PDE4B (0.61) PDE4BMAPTNPSR1TP53ALDH1A1
Hydrochloric Acid SCHEMBL8563873 0.83 PDE4B (0.60) PDE4BMAPTNPSR1TP53ALDH1A1
SCHEMBL8561203 0.82 GAA (0.49) PDE4BMAPTNPSR1PDE4DALDH1A1
SCHEMBL8567066 0.76 MAPT (0.40) STK4MAPTNPSR1TP53KDM4E
SCHEMBL8329045 0.72 MAPT (0.53) PDE4BMAPTNPSR1TP53ALDH1A1
SCHEMBL8325585 0.72 MAPT (0.56) PDE4BMAPTNPSR1TP53ALDH1A1
Hydrochloric Acid SCHEMBL8331150 0.71 MAPT (0.52) PDE4BMAPTNPSR1TP53KDM4E
SCHEMBL8563378 0.71 PDE4B (0.59) PDE4BMAPTNPSR1TP53ALDH1A1
Hydrochloric Acid SCHEMBL8327776 0.71 MAPT (0.54) PDE4BMAPTNPSR1TP53ALDH1A1

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 1 patent. 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