SCHEMBL8923907

SCHEMBL8923907

CCOc1ccc(-c2nc(-c3ccc(C(=N)N4CCOCC4)cc3)cs2)cc1OCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
HPGD P15428 6/20 0.51
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.46
MAPK1 P28482 4/20 0.46
MAPT P10636 4/20 0.46
KDM4E B2RXH2 3/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 2/20 0.44
PTBP1 P26599 1/20 0.44
HTT P42858 1/20 0.44
FPR2 P25090 1/20 0.43
EIF4E P06730 1/20 0.43
HSD17B10 Q99714 2/20 0.43
ALOX15 P16050 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
MTOR P42345 2/20 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
Hydrochloric Acid SCHEMBL6196997 0.79 PDE4A (0.55) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL6199824 0.77 PDE4A (0.61) ALDH1A1HPGDPDE4APDE4BPDE4C
SCHEMBL9413051 0.77 PDE4A (0.60) ALDH1A1HPGDPDE4APDE4BPDE4C
SCHEMBL8923403 0.76 PDE4A (0.62) ALDH1A1HPGDPDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL8924868 0.76 PDE4A (0.59) ALDH1A1HPGDPDE4APDE4BPDE4C
SCHEMBL8925279 0.75 PDE4A (0.61) ALDH1A1HPGDPDE4APDE4BPDE4C
SCHEMBL6194685 0.75 PDE4A (0.66) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL8924567 0.74 PDE4A (0.60) ALDH1A1HPGDPDE4APDE4BPDE4C
SCHEMBL8922604 0.74 PDE4A (0.50) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL6202837 0.74 SREBF2 (0.60) ALDH1A1PDE4APDE4BPDE4CPDE4D

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