SCHEMBL27926558

SCHEMBL27926558

CCCC(NS(=O)(=O)c1ccc2cc(N(C)C)ccc2c1)C(=O)NCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.47
PDE4B Q07343 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
PADI6 Q6TGC4 1/20 0.47
PADI4 Q9UM07 1/20 0.47
PADI2 Q9Y2J8 1/20 0.47
POLB P06746 3/20 0.47
NPY5R Q15761 1/20 0.44
MMP2 P08253 2/20 0.44
MMP9 P14780 2/20 0.44
BMP1 P13497 1/20 0.44
MMP8 P22894 1/20 0.44
MMP12 P39900 1/20 0.44
MMP14 P50281 1/20 0.44
TP53 P04637 1/20 0.44
F2 P00734 4/20 0.43
ALDH1A1 P00352 1/20 0.43
TMPRSS6 Q8IU80 1/20 0.42

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
SCHEMBL10026328 0.94 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DPADI6
SCHEMBL28104364 0.90 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPADI6
SCHEMBL2703298 0.90 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPADI6
SCHEMBL2703295 0.90 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPADI6
SCHEMBL2702104 0.89 BMP1 (0.51) PDE4APDE4BPDE4CPDE4DPADI6
SCHEMBL10026322 0.85 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPADI6
SCHEMBL16124204 0.84 MMP2 (0.56) PDE4APDE4BPDE4CPDE4DPADI6
SCHEMBL27908420 0.84 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPADI6
SCHEMBL7297288 0.77 NPY5R (0.52) POLBNPY5RMMP2MMP9MMP8
SCHEMBL7299650 0.77 NPY5R (0.52) POLBNPY5RMMP2MMP9MMP8

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-103189063-A Therapeutic compositions and methods PENN STATE RES FOUND 2013-07-03 CN disclosed