SCHEMBL8923403

SCHEMBL8923403

CCOc1ccc(-c2nc(-c3ccc(C(N)=O)cc3)cs2)cc1OCC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.62
PDE4B Q07343 1/20 0.62
PDE4C Q08493 1/20 0.62
PDE4D Q08499 1/20 0.62
PIM1 P11309 1/20 0.51
PIM3 Q86V86 1/20 0.51
MAPK1 P28482 1/20 0.49
PTPN7 P35236 3/20 0.49
PTPN22 Q9Y2R2 3/20 0.49
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 4/20 0.48
FPR2 P25090 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 2/20 0.46
THRB P10828 1/20 0.46
CDC25A P30304 1/20 0.46
CDC25B P30305 1/20 0.46
CDC25C P30307 1/20 0.46

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
SCHEMBL8924567 0.89 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPTPN7
Hydrochloric Acid SCHEMBL8924752 0.88 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DPTPN7
SCHEMBL8925279 0.87 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DPTPN7
Hydrochloric Acid SCHEMBL6196997 0.87 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL6200469 0.84 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL6199824 0.84 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DMAPK1
Hydrochloric Acid SCHEMBL6199487 0.83 SREBF2 (0.59) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8925932 0.83 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DPTPN7
SCHEMBL6194685 0.83 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL6200825 0.82 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DMAPK1

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