SCHEMBL9866843

SCHEMBL9866843

O=C1CC2C[S+]([O-])c3ccccc3C2=NN1c1ccc(O)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
KDM4E B2RXH2 3/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
PRKCZ Q05513 2/20 0.32
HIF1A Q16665 1/20 0.32
POLB P06746 1/20 0.32
NR1H3 Q13133 1/20 0.31
MAOB P27338 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31

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
SCHEMBL10558285 0.88 GABRP (0.42) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL10557783 0.88 GAA (0.35) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL10558290 0.88 GABRP (0.42) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL10562596 0.85 CES2 (0.38) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL10564163 0.83 CA12 (0.35) KDM4EPOLBCA12CA1CA2
SCHEMBL7298595 0.80 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL10560151 0.79 MAPT (0.39) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7288991 0.79 GABRP (0.40) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7289168 0.79 CES2 (0.33) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL9865071 0.77 MCHR1 (0.38) PDE4APDE4BPDE4CPDE4DKMT2A

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-5045541-A Immunodeficiency disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-09-03 US disclosed