SCHEMBL3789408

SCHEMBL3789408

O=S(=O)(Oc1nccc2cccnc12)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.47
PDE4C Q08493 3/20 0.47
PDE4D Q08499 3/20 0.47
METAP2 P50579 3/20 0.44
METAP1 P53582 3/20 0.44
KDM4E B2RXH2 3/20 0.44
ALOX12 P18054 1/20 0.44
SLC40A1 Q9NP59 8/20 0.42
MAPK1 P28482 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MMP2 P08253 2/20 0.40
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 2/20 0.40
ALOX15 P16050 2/20 0.40
HTT P42858 2/20 0.40
GMNN O75496 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL249779 0.80 METAP2 (0.64) PDE4APDE4CPDE4DMETAP2METAP1
SCHEMBL6638222 0.80 TRPA1 (0.43) PDE4APDE4CPDE4DKDM4ETSHR
SCHEMBL29937434 0.80 TRPA1 (0.43) PDE4APDE4CPDE4DKDM4ETSHR
SCHEMBL3380041 0.79 PDE4A (0.38) PDE4APDE4CPDE4DSLC40A1CA1
SCHEMBL7608263 0.78 PDE4A (0.40) PDE4APDE4CPDE4DMETAP2METAP1
SCHEMBL27854709 0.77 CCR1 (0.47) PDE4APDE4CPDE4DMETAP2METAP1
SCHEMBL21260401 0.76 PDE4A (0.39) PDE4APDE4CPDE4D
SCHEMBL4149669 0.75 PDE4A (0.50) PDE4APDE4CPDE4DMETAP2METAP1
SCHEMBL18318080 0.75 PDE4A (0.45) PDE4APDE4CPDE4DMETAP2METAP1
SCHEMBL12578335 0.75 METAP2 (0.51) PDE4APDE4CPDE4DMETAP2METAP1

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
WO-2010112826-A2 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2010-10-07 WO disclosed