SCHEMBL7376294

SCHEMBL7376294

COc1cc(-n2ccc3ccccc3c2=O)cc(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
PTGES O14684 1/20 0.46
ALOX5 P09917 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
KMT2A Q03164 3/20 0.44
CYP1A1 P04798 1/20 0.44
CYP1B1 Q16678 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 2/20 0.43
HPGD P15428 1/20 0.43
TP53 P04637 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
SCHEMBL7385125 0.89 PDE4A (0.48) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL28604399 0.78 KDM4E (0.56) SMN1; SMN2ALDH1A1KDM4EKMT2APOLB
SCHEMBL28582077 0.78 MAPT (0.55) MAPTSMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL30034874 0.78 MAPT (0.55) MAPTSMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL10975563 0.75 RAB9A (0.55) MAPTSMN1; SMN2LMNANPSR1KMT2A
SCHEMBL2593323 0.74 KDM4E (0.47) MAPTSMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL29431541 0.74 KDM4E (0.47) MAPTSMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL28592556 0.74 METAP2 (0.49) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL29809422 0.72 METAP2 (0.49) MAPTSMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL6185728 0.72 METAP2 (0.49) MAPTSMN1; SMN2LMNAALDH1A1KDM4E

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
WO-1998038168-A1 ISOQUINOLINONE DERIVATIVES, PROCESS FOR PREPARING THE SAME, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS TANABE SEIYAKU CO., LTD. (JP) 1998-09-03 WO disclosed