SCHEMBL11255145

SCHEMBL11255145

CCOc1cc(-c2nc(Br)c(C(F)(F)F)[nH]2)c(F)cc1S(C)(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 7/20 0.33
CNR2 P34972 1/20 0.33
PDE6D O43924 1/20 0.32
PDE6A P16499 1/20 0.32
PDE6G P18545 1/20 0.32
PDE6B P35913 1/20 0.32
PDE6C P51160 1/20 0.32
PDE6H Q13956 1/20 0.32
CTSG P08311 1/20 0.32
KLK7 P49862 1/20 0.32
KLK14 Q9P0G3 1/20 0.32
KLK5 Q9Y337 1/20 0.32
NR1H2 P55055 2/20 0.32
NR1H3 Q13133 2/20 0.32
LRRK2 Q5S007 2/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 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
SCHEMBL11252458 0.90 HTR2A (0.33) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL11256789 0.86 EGLN1 (0.36) PDE5AALDH1A1MAPTHTTGUSB
SCHEMBL11257919 0.85 PDE5A (0.34) PDE5AMAPTLMNAGUSBF10
SCHEMBL11244450 0.84 PTGS1 (0.33) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL11241670 0.84 TRPA1 (0.33) PDE5AMAPTGUSBF10PLG
SCHEMBL11253838 0.84 TRPA1 (0.36) PDE5AMAPTGUSBF10PLG
SCHEMBL11267101 0.82 POLB (0.36) PDE5ANPSR1MAPTLMNAGUSB
SCHEMBL11249168 0.82 PDE5A (0.32) PDE5AMAPTGUSBF10PLG
SCHEMBL11259216 0.81 PDE3B (0.33) PDE5AMAPTGUSBF10PLG
SCHEMBL11256153 0.79 F10 (0.33) PDE5ALRRK2MAPTF10PLG

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-4314844-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1982-02-09 US disclosed