SCHEMBL8924567

SCHEMBL8924567

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.60
PDE4B Q07343 1/20 0.60
PDE4C Q08493 1/20 0.60
PDE4D Q08499 1/20 0.60
NPC1 O15118 6/20 0.50
RAB9A P51151 6/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
MAPT P10636 5/20 0.50
PTPN7 P35236 3/20 0.49
PTPN22 Q9Y2R2 3/20 0.49
THRB P10828 1/20 0.49
KDM4E B2RXH2 8/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 2/20 0.46
APEX1 P27695 1/20 0.46
BLM P54132 1/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 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
Hydrochloric Acid SCHEMBL8924752 0.99 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL8925279 0.92 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL8923403 0.89 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL8925932 0.87 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL8923947 0.85 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DNPC1
Hydrochloric Acid SCHEMBL6196997 0.83 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DRAB9A
SCHEMBL6199824 0.82 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DRAB9A
Hydrochloric Acid SCHEMBL6199487 0.81 SREBF2 (0.59) PDE4APDE4BPDE4CPDE4DRAB9A
SCHEMBL6194685 0.81 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL6200825 0.80 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DNPC1

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