SCHEMBL9703652

SCHEMBL9703652

CC1(C)CC(=O)Nc2cc3nc(-c4occ5ccccc45)[nH]c3cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
PDGFRB P09619 4/20 0.33
FGFR1 P11362 4/20 0.33
KDR P35968 4/20 0.33
ALOX5 P09917 1/20 0.32
PTGS1 P23219 1/20 0.32
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
FLT1 P17948 2/20 0.31
MAP3K5 Q99683 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL9378253 0.80 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9382393 0.79 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9380164 0.79 ESR1 (0.47) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL4885470 0.78 FGFR1 (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9378341 0.78 BRD4 (0.41) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9378130 0.78 KDM4E (0.52) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9385715 0.77 CBFB (0.54) ALDH1A1MAPTPKMKMT2AHSD17B10
SCHEMBL9384872 0.77 AURKA (0.47) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9379192 0.76 TOP2A (0.49) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9703486 0.75 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DPDE3B

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
US-5116843-A Anticoagulants, hypotensive agents and cardiovascular disorder BOEHRINGER MANNHEIM GMBH (DE) 1992-05-26 US disclosed