SCHEMBL27675605

SCHEMBL27675605

CCCCC(Br)S(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
RECQL P46063 1/20 0.41
LCK P06239 1/20 0.39
PPARD Q03181 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
FDPS P14324 1/20 0.38
CA2 P00918 7/20 0.37
MAPK1 P28482 1/20 0.37
CA1 P00915 5/20 0.35
ZDHHC7 Q9NXF8 1/20 0.35
ALDH1A1 P00352 2/20 0.34
DPP7 Q9UHL4 1/20 0.34
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DNM1 Q05193 1/20 0.33

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
SCHEMBL17713939 0.91 TP53 (0.50) TP53LCKPPARDZDHHC20ZDHHC2
SCHEMBL10652688 0.91 TP53 (0.50) TP53LCKPPARDZDHHC20ZDHHC2
SCHEMBL11736697 0.85
SCHEMBL15561972 0.78 TP53 (0.45) TP53RECQLLCKPPARDZDHHC20
SCHEMBL28229721 0.76 FAAH (0.39) TP53LCKPPARDZDHHC20ZDHHC2
SCHEMBL1415215 0.76 TP53 (0.34) TP53RECQLLCKPPARDZDHHC20
SCHEMBL1415504 0.76 CA2 (0.41) TP53CA2CA1
SCHEMBL462373 0.75 TP53 (0.46) TP53RECQLFDPSCA2MAPK1
SCHEMBL6201439 0.75 TP53 (0.46) TP53RECQLFDPSCA2MAPK1
SCHEMBL3129006 0.74

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
CN-1934093-A Pyrimidyl phosphonate antiviral compounds and methods of use GILEAD SCIENCES INC (US) 2007-03-21 CN disclosed