SCHEMBL4628322

SCHEMBL4628322

Cc1cc(S(=O)(=O)N2CCOCC2)c2ncc(C(N)=O)c(Nc3cccc4c3CCO4)c2c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.57
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CSF1R P07333 3/20 0.37
KCNH2 Q12809 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MTNR1B P49286 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL4625986 0.92 PDE4B (0.55) PDE4BCSF1RMTNR1B
SCHEMBL4628806 0.90 PDE4B (0.57) PDE4BGAAMAPTCSF1RATM
SCHEMBL4949101 0.88 PDE4B (0.68) PDE4BCSF1RMTNR1B
SCHEMBL4627105 0.88 PDE4B (0.61) PDE4BGAAMAPTCYP3A4CYP2C9
SCHEMBL4949711 0.85 PDE4B (0.64) PDE4BGAACSF1RSMN1; SMN2MTNR1B
SCHEMBL4952737 0.83 PDE4B (0.61) PDE4BCSF1R
SCHEMBL4628792 0.83 PDE4B (0.57) PDE4BGAAMAPTCSF1RKCNH2
SCHEMBL4946724 0.83 PDE4B (0.56) PDE4BCYP3A4CYP2C9CSF1RKCNH2
SCHEMBL4627674 0.82 PDE4B (0.56) PDE4BCSF1RMTNR1BMAPK1
SCHEMBL4627084 0.82 PDE4B (0.76) PDE4BCSF1R

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-1673086-B1 4-AMINOQUINOLINE-3-CARBOXAMIDE DERIVATIVES AS PDE4 INHIBITORS GLAXO GROUP LTD (GB) 2008-01-23 EP claimed