SCHEMBL4949429

SCHEMBL4949429

Cc1cc(S(=O)(=O)C2CCN(C(=O)c3ccco3)CC2)c2ncc(C(N)=O)c(Nc3cccc4c3CCO4)c2c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.50
PKM P14618 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HTR4 Q13639 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 2/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL1275597 0.90 PDE4B (0.53) PDE4BPKMSMN1; SMN2ALDH1A1MAPT
SCHEMBL4946724 0.89 PDE4B (0.56) PDE4BCYP3A4CYP2C9
SCHEMBL4949413 0.82 PDE4B (0.52) PDE4BPKMSMN1; SMN2ALDH1A1
SCHEMBL4948891 0.81 PDE4B (0.52) PDE4BALDH1A1MAPTCYP3A4CYP2C9
SCHEMBL4949101 0.81 PDE4B (0.68) PDE4B
SCHEMBL4628322 0.80 PDE4B (0.57) PDE4BSMN1; SMN2ATMMAPTCYP3A4
SCHEMBL8312156 0.80 PDE4B (0.57) PDE4B
SCHEMBL4625986 0.79 PDE4B (0.55) PDE4BHTR4
SCHEMBL1275608 0.79 PDE4B (0.59) PDE4BCYP3A4CYP2C9
Hydrochloric Acid SCHEMBL4264207 0.79 PDE4B (0.57) PDE4B

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