SCHEMBL7647472

SCHEMBL7647472

CCCON=C(N)NOc1cc(C)cc(OS(=O)(=O)c2ccccc2S(=O)(=O)N(CCC#N)Cc2ccco2)c1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.43
PDE4B Q07343 3/20 0.43
PDE4C Q08493 3/20 0.43
PDE4D Q08499 3/20 0.43
LMNA P02545 1/20 0.43
F2 P00734 8/20 0.43

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
Hydrochloric Acid SCHEMBL7647966 0.90 F2 (0.49) F2
SCHEMBL6745716 0.85 F2 (0.60) F2
SCHEMBL6856733 0.82 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL6745713 0.80 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7648206 0.80 F2 (0.45) LMNAF2
SCHEMBL7647872 0.79 F2 (0.49) F2
Hydrochloric Acid SCHEMBL6927585 0.77 F2 (0.63) F2
Hydrochloric Acid SCHEMBL6749548 0.77 F2 (0.42) F2
Hydrochloric Acid SCHEMBL7645850 0.76 F2 (0.44) F2
Hydrochloric Acid SCHEMBL6747652 0.74 F2 (0.69) F2

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
EP-0944590-B1 AMINOGUANIDINES AND ALKOXYGUANIDINES AS PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 2002-03-20 EP claimed