SCHEMBL4052891

SCHEMBL4052891

CC1(C)CCc2c(-c3ccco3)nc3sc4c(NCCN5CCN(C(=O)O)CC5)ncnc4c3c2C1

nearest known ligand 0.82

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.82
PDE4A P27815 9/20 0.82
PDE4D Q08499 9/20 0.82
KDM4E B2RXH2 5/20 0.66
ALDH1A1 P00352 3/20 0.66
HPGD P15428 2/20 0.66
ADRB2 P07550 4/20 0.58
PKM P14618 1/20 0.56
MAPT P10636 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL4046368 0.92 PDE4B (0.78) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL4046711 0.90 PDE4B (1.00) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL4047413 0.88 PDE4B (0.75) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL4046721 0.88 PDE4B (0.82) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL5242434 0.85 PDE4B (0.74) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL4051950 0.84 PDE4B (0.65) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL4050912 0.83 PDE4B (0.78) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL4047975 0.82 PDE4B (0.78) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL4052264 0.82 PDE4B (0.73) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL4045699 0.82 PDE4B (0.71) PDE4BPDE4APDE4DKDM4EALDH1A1

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-1819710-B1 NEW PYRIDOTHIENOPYRIMIDINE DERIVATIVES ALMIRALL LAB (ES) 2009-03-11 EP claimed