SCHEMBL8924633

SCHEMBL8924633

CCOc1ccc(-c2nc(-c3cnccn3)cs2)cc1OCC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.58
PDE4B Q07343 1/20 0.58
PDE4C Q08493 1/20 0.58
PDE4D Q08499 1/20 0.58
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 4/20 0.50
CYP19A1 P11511 1/20 0.50
S1PR1 P21453 7/20 0.47
S1PR3 Q99500 2/20 0.45
MAPT P10636 4/20 0.44
NPSR1 Q6W5P4 3/20 0.44
HSD17B10 Q99714 3/20 0.44
HPGD P15428 2/20 0.44
CDC25A P30304 1/20 0.44
CDC25B P30305 1/20 0.44
CDC25C P30307 1/20 0.44
DUSP3 P51452 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
SCHEMBL8926273 0.84 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL6199367 0.80 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL6194685 0.80 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7499485 0.79 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL6202837 0.79 SREBF2 (0.60) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL6199824 0.79 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7502906 0.78 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL6197296 0.78 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL6201319 0.78 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DKDM4E
Hydrochloric Acid SCHEMBL6199487 0.78 SREBF2 (0.59) PDE4APDE4BPDE4CPDE4DKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5639770-A SUPEROXIDE INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-06-17 US disclosed
EP-0600092-A1 THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-08 EP disclosed