SCHEMBL4945356

SCHEMBL4945356

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

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.58
MTNR1B P49286 1/20 0.36
THRB P10828 1/20 0.35
CSF1R P07333 5/20 0.34
BRD4 O60885 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
BRD2 P25440 1/20 0.32
CYP2C19 P33261 1/20 0.32
BRD3 Q15059 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL4949101 0.88 PDE4B (0.68) PDE4BMTNR1BTHRBCSF1R
SCHEMBL1276130 0.88 PDE4B (0.62) PDE4BMTNR1BTHRBCSF1R
SCHEMBL4949711 0.84 PDE4B (0.64) PDE4BMTNR1BCSF1RALDH1A1LMNA
SCHEMBL4952737 0.84 PDE4B (0.61) PDE4BTHRBCSF1R
SCHEMBL4628322 0.82 PDE4B (0.57) PDE4BMTNR1BCSF1RCYP3A4CYP2C9
SCHEMBL4949741 0.81 PDE4B (0.60) PDE4BCSF1R
SCHEMBL4625986 0.80 PDE4B (0.55) PDE4BMTNR1BCSF1R
SCHEMBL4949173 0.80 PDE4B (0.69) PDE4BMTNR1BCSF1R
SCHEMBL4951313 0.80 PDE4B (0.65) PDE4BMTNR1BCSF1RMEN1ALDH1A1
SCHEMBL4950089 0.80 PDE4B (0.67) PDE4BMTNR1BCSF1R

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-1633748-B1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LTD (GB) 2008-03-05 EP claimed