SCHEMBL8320258

SCHEMBL8320258

O=S1(=O)CCN(c2nc(NC3CC3)nc(C3CC3)n2)CC1

nearest known ligand 0.85

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 15/20 0.85
PDE4B Q07343 15/20 0.85
PDE4C Q08493 15/20 0.85
PDE4D Q08499 15/20 0.85
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CHRM3 P20309 13/20 0.38
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
SYK P43405 1/20 0.36
ATM Q13315 1/20 0.36

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 SCHEMBL9425430 0.93 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL8471230 0.92 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL13350282 0.84 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL8333755 0.84 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL8798987 0.80 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL236171 0.80 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DHTT
Hydrochloric Acid SCHEMBL9425361 0.79 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL8799489 0.75 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL8801127 0.75 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL8798834 0.75 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DHTT

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
WO-2004067006-A1 COMBINATION OF A PDE IV INHIBITOR AND A TNF-ALPHA ANTAGONIST PHARMACIA CORPORATION (US) 2004-08-12 WO disclosed